|
Hellandite-(Y) |
 |
Mellini M, Merlino S |
 |
American Mineralogist 62 (1977) 89-99 |
|
Hellandite: a new type of silicoborate chain |
|
_database_code_amcsd 0000557 |
|
18.990 4.715 10.300 90 111.4 90 P2/a |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al1 0 0 0 .550 .00089 .01771 .00325 -.00017 .00090 .00002 |
|
Fe1 0 0 0 .450 .00089 .01771 .00325 -.00017 .00090 .00002 |
|
Y2 .04179 .01879 .35996 .870 .00063 .01333 .00239 -.00032 .00075 -.00033 |
|
Ca3 .24771 .00225 .65957 .752 .00065 .01238 .00230 .00008 .00064 -.00007 |
|
Y3 .24771 .00225 .65957 .108 .00065 .01238 .00230 .00008 .00064 -.00007 |
|
Ca4 .15428 -.03944 .92862 .556 .00049 .01466 .00329 .00044 .00089 .00109 |
|
Y4 .15428 -.03944 .92862 .333 .00049 .01466 .00329 .00044 .00089 .00109 |
|
Si1 .09990 .48510 .64680 .00079 .01387 .00336 .00021 .00098 .00053 |
|
Si2 .11120 .49660 .16160 .00081 .01727 .00382 .00043 .00093 .00093 |
|
B1 .17080 .53440 .45100 0.25 |
|
B2 .25440 .45270 .13750 0.18 |
|
H .04700 .04000 .92000 4.00 |
|
O1 .04080 .24360 .56350 .00107 .01531 .00310 -.00033 .00060 -.00251 |
|
O2 .17570 .31270 .75560 .00075 .01770 .00453 .00051 .00030 -.00042 |
|
O3 .06980 -.30030 .73570 .00094 .02167 .00461 .00124 .00093 -.00157 |
|
O4 .13120 -.32680 .54040 .00129 .01478 .00452 .00011 .00173 .00169 |
|
O5 .03730 .19260 .86690 .00096 .01723 .00375 .00053 .00110 .00064 |
|
O6 .24570 -.23450 .86050 .00111 .01463 .00432 .00073 .00100 -.00041 |
|
O7 .16650 .22190 .44750 .00092 .01406 .00326 .00041 .00065 .00086 |
|
O8 .13030 .67440 .30850 .00202 .01670 .00298 .00105 .00039 -.00174 |
|
O9 .18720 .32810 .16330 .00099 .01891 .00927 .00171 .00234 .00517 |
|
O10 .08480 .72860 .03880 .00086 .02265 .00364 .00107 .00036 .00284 |
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O11 .05260 .24840 .15760 .00118 .02047 .00307 -.00143 .00084 .00161 |
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O12 .25 .32670 0 .00190 .01741 .00373 0 .00037 0 |
|
O13 .25 .65150 .5 .00082 .01336 .00549 0 .00037 0 |
|
|
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|
| |
|
Tuscanite |
|
Mellini M, Merlino S, Rossi G |
|
American Mineralogist 62 (1977) 1114-1120 |
|
The crystal structure of tuscanite |
|
Note Sample from the pumice deposit in Pitigliano, Tuscany, Italy |
|
_database_code_amcsd 0000601 |
|
24.03 5.11 10.88 90 106.94 90 P2_1/a |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K1 .0365 .7445 .2713 .51 .00146 .02050 .00577 -.00024 .00116 -.00011 |
|
Ca1 .1906 .7236 .1885 1.01 .00041 .00879 .00209 .00010 .00034 .00029 |
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Ca2 .3554 .7252 .1472 .90 .00046 .01113 .00235 -.00018 .00039 .00070 |
|
Ca3 .3082 .2396 .4565 .99 .00035 .00657 .00149 .00029 .00022 -.00034 |
|
Si1 .4386 .2403 .0725 .63 .00025 .00500 .00112 -.00006 .00024 -.00018 |
|
Al1 .4386 .2403 .0725 .37 .00025 .00500 .00112 -.00006 .00024 -.00018 |
|
Si2 .4420 .2296 .3529 .63 .00031 .00510 .00096 .00008 .00022 .00018 |
|
Al2 .4420 .2296 .3529 .37 .00031 .00510 .00096 .00008 .00022 .00018 |
|
Si3 .4216 .7256 .4789 .63 .00031 .00560 .00096 .00001 .00022 .00003 |
|
Al3 .4216 .7256 .4789 .37 .00031 .00560 .00096 .00001 .00022 .00003 |
|
Si4 .1619 .2724 .3540 .63 .00036 .00590 .00106 .00017 .00022 .00018 |
|
Al4 .1619 .2724 .3540 .37 .00036 .00590 .00106 .00017 .00022 .00018 |
|
Si5 .0753 .2351 .0824 .63 .00026 .00475 .00102 -.00007 .00020 -.00022 |
|
Al5 .0753 .2351 .0824 .37 .00026 .00475 .00102 -.00007 .00020 -.00022 |
|
S .2692 .1979 .1403 .95 .00027 .00614 .00167 -.00008 .00025 -.00064 |
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O1 .0969 .9179 .0505 .00054 .00760 .00150 .00011 .00018 -.00071 |
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O2 .0070 .2297 .1003 .00034 .02060 .00290 -.00002 .00044 -.00047 |
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O3 .4194 .9354 .0466 .00074 .00650 .00180 -.00016 .00064 -.00119 |
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O4 .4191 .3459 .1948 .00046 .00950 .00160 .00043 .00032 .00037 |
|
O5 .4197 .9016 .3514 .00068 .00862 .00237 -.00009 .00059 .00028 |
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O6 .0161 .2409 .4152 .00049 .02180 .00255 .00036 .00011 .00087 |
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O7 .4027 .4228 .4342 .00054 .00835 .00248 -.00002 .00052 -.00115 |
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O8 .3710 .8528 .5362 .00063 .00995 .00232 .00097 .00067 .00088 |
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O9 .2200 .4482 .3948 .00040 .01000 .00234 -.00070 .00025 -.00032 |
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O10 .1702 -.0351 .3520 .00139 .00801 .00201 .00106 .00060 .00079 |
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O11 .1231 .3853 .2155 .00048 .00870 .00147 -.00022 .00002 .00046 |
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O12 .2063 .1633 .0816 .00053 .02120 .00386 -.00063 .00030 .00199 |
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O13 .3024 .1469 .0489 .00070 .01972 .00387 -.00087 .00089 -.00313 |
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O14 .2819 .4639 .1968 .00075 .00930 .00400 -.00043 .00082 -.00142 |
|
O15 .2871 .0006 .2458 .00100 .01110 .00292 .00033 .00038 .00057 |
|
|
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|
| |
|
Versiliaite |
|
Mellini M, Merlino S |
|
American Mineralogist 64 (1979) 1235-1242 |
|
Versiliaite and apuanite: Derivative structures related to schafarzikite |
|
_database_code_amcsd 0000750 |
|
8.492 8.326 11.938 90 90 90 Pbam |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe(1) .3084 .3193 0 .75 0.0042 0.0054 0.0015 0.0021 0 0 |
|
Sb(1) .3084 .3193 0 .25 0.0042 0.0054 0.0015 0.0021 0 0 |
|
Fe(2) 0 .5 .3752 0.0007 0.0013 0.0007 0 0 0 |
|
Fe(3) 0 .5 .1239 .75 0.0010 0.0010 0.0009 0.0003 0 0 |
|
Zn(3) 0 .5 .1239 .25 0.0010 0.0010 0.0009 0.0003 0 0 |
|
Sb(1) .1711 .1671 .2450 .90 0.0006 0.0005 0.0007 0.0003 -.0002 0.0000 |
|
As(1) .1711 .1671 .2450 .10 0.0006 0.0005 0.0007 0.0003 -.0002 0.0000 |
|
Sb(2) .3303 .3292 .5 .90 0.0006 0.0015 0.0010 0.0004 0 0 |
|
As(2) .3303 .3292 .5 .10 0.0006 0.0015 0.0010 0.0004 0 0 |
|
S .5 .5 0 .80 0.0019 0.0032 0.0035 -.0005 0 0 |
|
O(1) .3610 .0993 .5 0.0016 0.0015 0.0022 0.0007 0 0 |
|
O(2) .4003 .1360 .2438 0.0012 0.0013 0.0019 0.0005 -.0001 0.0007 |
|
O(3) .3234 .8176 .3764 0.0030 0.0029 0.0020 -.0004 -.0008 0.0011 |
|
O(4) .1855 .3428 .1357 0.0016 0.0032 0.0015 0.0021 -.0001 -.0004 |
|
O(5) .6070 .8915 0 0.0015 0.0020 0.0017 0.0011 0 0 |
|
|
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|
| |
|
Apuanite |
|
Mellini M, Merlino S |
|
American Mineralogist 64 (1979) 1235-1242 |
|
Versliaite and apuanite: Derivative structures related to schafarzikite |
|
_database_code_amcsd 0000751 |
|
8.372 8.372 17.974 90 90 90 P4_2/mbc |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe(1) .3098 .3179 0 .88 0.0048 0.0049 0.0007 0.0012 0 0 |
|
Sb(1) .3098 .3179 0 .12 0.0048 0.0049 0.0007 0.0012 0 0 |
|
Fe(2) 0 .5 .25 0.0030 0.0030 0.0005 0.0015 0 0 |
|
Fe(3) 0 .5 .0829 .90 0.0027 0.0025 0.0005 0.0004 0 0 |
|
Zn(3) 0 .5 .0829 .10 0.0027 0.0025 0.0005 0.0004 0 0 |
|
Sb .1677 .1706 .1638 .90 0.0018 0.0021 0.0004 0.0002 0.0001 0.0001 |
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As .1677 .1706 .1638 .10 0.0018 0.0021 0.0004 0.0002 0.0001 0.0001 |
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S .5 .5 0 .84 0.0044 0.0035 0.0014 0.0031 0 0 |
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O(1) -.0987 .3624 .1628 0.0018 0.0015 0.0005 -.0001 0.0002 -.0004 |
|
O(2) -.1067 .3915 0 0.0039 0.0015 0.0006 -.0004 0 0 |
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O(3) -.1853 .6574 .0899 0.0030 0.0027 0.0004 0.0012 0.0003 -.0001 |
|
O(4) -.1779 .6779 .25 0.0045 0.0045 0.0001 -.0029 0.0003 -.0003 |
|
|
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|
| |
|
Jagoite |
|
Mellini M, Merlino S |
|
American Mineralogist 66 (1981) 852-858 |
|
The crystal structure of jagoite |
|
_database_code_amcsd 0000843 |
|
8.528 8.528 33.33 90 90 120 P-62c |
|
atom x y z occ Biso |
|
Pb1 1/3 2/3 .3305 0.69 |
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Pb2 .3679 .4114 .4243 0.82 |
|
Pb3 -.1111 .2772 .25 1.89 |
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Fe1 0 0 .4302 0.24 |
|
Si1 .2750 0 0 .5 0.97 |
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Fe2 .2750 0 0 .5 0.97 |
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Si2 0 0 .3031 .5 1.22 |
|
Fe3 0 0 .3031 .5 1.22 |
|
Si3 2/3 1/3 .4966 0.80 |
|
Si4 2/3 1/3 .3387 0.50 |
|
Si5 .2903 .0240 .3626 0.60 |
|
O1 .225 .112 .394 1.00 |
|
O2 .103 .222 .463 0.40 |
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O3 2/3 1/3 .543 0.30 |
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O4 .149 .477 .520 2.00 |
|
O5 .176 .434 .375 0.30 |
|
O6 .989 .187 .319 1.70 |
|
O7 2/3 1/3 .296 2.00 |
|
O8 .860 .370 .358 2.20 |
|
O9 0 0 .25 6.00 |
|
Cl .337 .420 .25 2.10 |
|
|
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|
| |
|
Arrojadite-(KFe) |
| |
Moore P B, Araki T, Merlino S, Mellini M, Zanazzi P F |
|
American Mineralogist 66 (1981) 1034-1049 |
|
The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12: |
|
Crystal structure and crystal chemistry |
|
sample NM |
|
Locality: Nancy mine, North Groton, New Hampshire, USA |
|
_database_code_amcsd 0000846 |
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24.692 10.031 16.453 90 105.78 90 A2/a |
|
atom x y z occ |
|
Al1 0 .5 0 |
|
Fe1 .47321 .89531 .22048 |
|
Fe2 .26656 .00954 .21173 |
|
Fe3 .14023 .01559 .10524 |
|
Fe4 .40367 .25041 .02298 |
|
Fe5 .39990 .74383 .03394 |
|
Fe6 .35132 .70124 .20352 |
|
Fe7 .34199 .29518 .21822 |
|
Ca .48587 .22363 .23404 .5 |
|
Na1 .11986 .51637 .13523 |
|
Na2 0 0 0 .5 |
|
Na3 .25 .1248 0 .5 |
|
Na4 .4560 .9448 .2037 .5 |
|
K .25 .5090 0 |
|
P1 .36662 .01006 .11457 .5 |
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P2 .33440 .99720 .08030 .5 |
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P3 .42435 .46788 .13165 |
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P4 .03946 .25200 .12680 |
|
P5 .04849 .76821 .10200 |
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P6 .21262 .72485 .12932 |
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P7 .20536 .30030 .14028 |
|
O1 .3677 .0625 .0258 |
|
O2 .3633 -.1412 .1122 |
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O3 .3179 .0734 .1382 .5 |
|
O4 .4220 .0469 .1821 .5 |
|
O5 .2718 .9540 .0224 .5 |
|
O6 .3231 .0860 .1479 .5 |
|
O7 .4456 .4443 .0519 |
|
O8 .3909 .5970 .1207 |
|
O9 .3872 .3430 .1317 |
|
O10 .4725 .4678 .2131 |
|
O11 .0752 .1662 .0843 |
|
O12 .0367 .3958 .0950 |
|
O13 -.0199 .1897 .1101 |
|
O14 .0644 .2542 .2238 |
|
O15 .0489 .6431 .0458 |
|
O16 .0803 .8734 .0636 |
|
O17 -.0114 .8142 .0967 |
|
O18 .0793 .7371 .1939 |
|
O19 .1712 .6753 .0486 |
|
O20 .2709 .6765 .1296 |
|
O21 .2105 .8783 .1348 |
|
O22 .1952 .6648 .2057 |
|
O23 .1646 .3456 .0562 |
|
O24 .2644 .3551 .1456 |
|
O25 .2055 .1470 .1443 |
|
O26 .1847 .3561 .2151 |
|
F .1395 .0035 .2301 |
|
|
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|
| |
|
Arrojadite-(KFe) |
| |
Moore P B, Araki T, Merlino S, Mellini M, Zanazzi P F |
|
American Mineralogist 66 (1981) 1034-1049 |
|
The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12: |
|
Crystal structure and crystal chemistry |
|
sample NP |
|
Locality: Nickel Plate mine, Keystone, South Dakota, USA |
|
_database_code_amcsd 0000847 |
|
24.730 10.057 16.526 90 105.78 90 A2/a |
|
atom x y z occ |
|
Al1 0 .5 0 |
|
Fe1 .4738 .8957 .2202 |
|
Fe2 .2674 .0078 .2123 |
|
Fe3 .1394 .0142 .1066 |
|
Fe4 .4036 .2496 .0222 |
|
Fe5 .4004 .7434 .0334 |
|
Fe6 .3517 .6992 .2044 |
|
Fe7 .3432 .2945 .2193 |
|
Ca1 .4848 .2223 .2322 .5 |
|
Na1 .1202 .5150 .1289 |
|
Na2 0 0 0 .5 |
|
Na3 .25 .1460 0 .5 |
|
Na4 .4567 .9417 .2077 .5 |
|
K .25 .5043 0 |
|
P1 .3662 .0085 .1130 .5 |
|
P2 .3354 .9948 .0799 .5 |
|
P3 .4246 .4670 .1303 |
|
P4 .0385 .2518 .1259 |
|
P5 .0474 .7673 .1023 |
|
P6 .2115 .7241 .1304 |
|
P7 .2045 .2972 .1425 |
|
O1 .3675 .0614 .0250 |
|
O2 .3635 -.1416 .1120 |
|
O3 .3220 .0770 .1426 .5 |
|
O4 .4222 .0462 .1807 .5 |
|
O5 .2720 .9678 .0234 .5 |
|
O6 .4222 .0462 .1807 .5 |
|
O7 .4450 .4448 .0501 |
|
O8 .3924 .5879 .1213 |
|
O9 .3871 .3445 .1301 |
|
O10 .4733 .4637 .2103 |
|
O11 .0751 .1664 .0842 |
|
O12 .0360 .3951 .0941 |
|
O13 -.0206 .1891 .1078 |
|
O14 .0623 .2533 .2224 |
|
O15 .0482 .6428 .0467 |
|
O16 .0794 .8719 .0652 |
|
O17 -.0126 -.8139 .0961 |
|
O18 .0770 .7357 .1939 |
|
O19 .1703 .6785 .0484 |
|
O20 .2703 .6781 .1315 |
|
O21 .2088 .8773 .1395 |
|
O22 .1938 .6604 .2044 |
|
O23 .1653 .3402 .0583 |
|
O24 .2632 .3509 .1516 |
|
O25 .2052 .1447 .1489 |
|
O26 .1824 .3541 .2156 |
|
F .1383 .0013 .2315 |
|
|
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|
| |
|
Dickinsonite-(KMnNa) |
| |
Moore P B, Araki T, Merlino S, Mellini M, Zanazzi P F |
|
American Mineralogist 66 (1981) 1034-1049 |
|
The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12: |
|
crystal structure and crystal chemistry |
|
sample BR |
|
Locality: Branchville, Connecticut, USA |
|
_database_code_amcsd 0000848 |
|
24.940 10.131 16.722 90 105.60 90 A2/a |
|
atom x y z occ |
|
Al 0 .5 0 |
|
Fe1 .47856 .88682 .22519 |
|
Fe2 .26879 .00654 .21154 |
|
Fe3 .13944 .01293 .10620 |
|
Fe4 .40442 .24825 .02195 |
|
Fe5 .40102 .74524 .03375 |
|
Fe6 .35182 .69839 .20674 |
|
Fe7 .34356 .29531 .22190 |
|
Ca .48542 .22242 .23362 .5 |
|
Na1 .12070 .51223 .12679 |
|
Na2 0 0 0 .5 |
|
Na3 .25 .1600 0 .5 |
|
Na4 .45639 .93751 .21059 .5 |
|
K .25 .4960 0 |
|
P1 .3693 .0090 .1168 .5 |
|
P2 .3388 .9987 .0847 .5 |
|
P3 .42283 .46775 .12855 |
|
P4 .03808 .24996 .12487 |
|
P5 .04757 .76632 .10221 |
|
P6 .21185 .72319 .12967 |
|
P7 .20441 .29526 .14445 |
|
O1 .3680 .0624 .0281 |
|
O2 .3643 -.1369 .1139 |
|
O3 .3235 .0762 .1455 .5 |
|
O4 .4246 .0410 .1799 .5 |
|
O5 .2713 .9691 .0277 .5 |
|
O6 .3473 .0797 .1542 .5 |
|
O7 .4438 .4455 .0496 |
|
O8 .3907 .5974 .1190 |
|
O9 .3854 .3460 .1281 |
|
O10 .4702 .4652 .2086 |
|
O11 .0733 .1649 .0818 |
|
O12 .0370 .3924 .0944 |
|
O13 -.0208 .1911 .1070 |
|
O14 .0622 .2476 .2206 |
|
O15 .0485 .6431 .0467 |
|
O16 .0789 .8710 .0646 |
|
O17 -.0114 .8122 .0976 |
|
O18 .0773 .7359 .1929 |
|
O19 .1713 .6816 .0473 |
|
O20 .2705 .6807 .1302 |
|
O21 .2091 .8742 .1403 |
|
O22 .1936 .6563 .2018 |
|
O23 .1665 .3376 .0602 |
|
O24 .2629 .3503 .1545 |
|
O25 .2058 .1438 .1494 |
|
O26 .1813 .3499 .2155 |
|
F .1354 .0009 .2309 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cascandite |
|
Mellini M, Merlino S |
|
American Mineralogist 67 (1982) 604-609 |
|
The crystal structure of cascandite, CaScSi3O8(OH) |
|
_database_code_amcsd 0000868 |
|
9.791 10.420 7.076 98.91 102.63 84.17 C-1 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .0027 .6629 .9128 0.0037 0.0024 0.0036 0.0003 0.0013 0.0010 |
|
Sc -.0019 .6421 .4062 0.0010 0.0013 0.0010 -.0004 0.0000 0.0004 |
|
Si1 .2163 .0402 .0886 0.0019 0.0020 0.0027 -.0001 0.0004 0.0008 |
|
Si2 .2102 .0666 .5229 0.0018 0.0018 0.0026 -.0002 0.0003 0.0010 |
|
Si3 .2055 .8366 .7399 0.0020 0.0018 0.0028 -.0006 0.0002 0.0006 |
|
O1 .1160 .4490 .8729 0.0019 0.0026 0.0042 -.0004 0.0001 0.0010 |
|
O2 .1176 .4462 .4203 0.0018 0.0025 0.0040 -.0003 0.0002 0.0008 |
|
O3 .1279 .6930 .2416 0.0024 0.0038 0.0047 -.0006 0.0003 0.0013 |
|
O4 .1295 .1568 -.0262 0.0046 0.0025 0.0052 0.0010 0.0016 0.0019 |
|
O5 .1479 .2006 .6291 0.0040 0.0022 0.0049 0.0002 0.0015 0.0003 |
|
O6 .1113 .7139 .6736 0.0026 0.0024 0.0043 -.0009 -.0002 0.0008 |
|
O7 .1571 .0538 .2871 0.0023 0.0038 0.0036 -.0002 0.0006 0.0010 |
|
O8 .1507 .9458 .5940 0.0033 0.0027 0.0066 -.0009 0.0005 0.0022 |
|
OH9 .1815 .8981 .9601 0.0036 0.0029 0.0037 -.0011 0.0009 0.0001 |
|
H .13 .18 .86 |
|
|
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View JMOL 3-D Structure
|
| |
|
Okenite |
|
Merlino S |
|
American Mineralogist 68 (1983) 614-622 |
|
Okenite, Ca10Si18O46*18H2O: the first example of a chain and sheet silicate |
|
_database_code_amcsd 0000902 |
|
9.69 7.28 22.02 92.7 100.1 110.9 P-1 |
|
atom x y z occ Biso |
|
Ca1 -.028 .509 .1553 0.9 |
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Ca2 -.375 .577 .1238 0.7 |
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Ca3 -.383 .074 .1248 0.8 |
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Ca4 -.019 .014 .1719 0.7 |
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Si1 -.147 .142 .0241 1.0 |
|
Si2 -.147 .715 .0232 1.3 |
|
Si3 -.400 .299 -.0088 1.1 |
|
Si4 -.266 .422 .2617 1.9 |
|
Si5 -.276 .838 .2663 1.0 |
|
Si6 .176 .846 .2926 0.8 |
|
Si7 .053 .412 .2990 0.5 |
|
Si8 .024 .067 .3654 0.7 |
|
Si9 .481 .016 .2560 0.7 |
|
O1 -.264 .393 .190 0.5 |
|
O2 -.134 .714 .098 0.9 |
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OH3 .206 .632 .128 1.6 |
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O4 .065 .800 .228 2.2 |
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O5 -.131 .186 .096 2.0 |
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O6 .037 .323 .231 2.2 |
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O7 -.265 .886 .197 0.5 |
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OH8 .194 .100 .132 1.7 |
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O9 -.439 .291 .061 0.4 |
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O10 .459 .226 -.065 0.5 |
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OH11 .418 .479 .178 2.6 |
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O12 .429 .976 .183 1.9 |
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O13 .002 .285 .000 2.2 |
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O14 -.168 .917 -.001 0.1 |
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O15 .289 .821 .014 2.5 |
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O16 .301 .459 .017 0.4 |
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O17 -.293 .626 .280 1.4 |
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O18 -.104 .435 .305 1.2 |
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O19 .608 .235 .284 0.7 |
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O20 .567 .866 .279 1.3 |
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O21 -.144 .992 .318 0.9 |
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O22 .002 .042 .437 1.9 |
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O23 .101 .297 .354 0.6 |
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O24 .123 .949 .348 0.7 |
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O25 .182 .644 .318 0.6 |
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O26 .347 .983 .291 0.8 |
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Ca5 .133 .896 .499 .5 1.8 |
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Ca6 -.199 .949 .479 .5 2.9 |
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Wat1 .265 .802 .588 6.4 |
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Wat2 -.067 .574 .442 .5 5.4 |
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Wat3 .288 .768 .448 .5 5.2 |
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Wat4 -.362 .806 .495 .5 8.0 |
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Wat5 -.289 .613 .506 .5 14.8 |
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Wat6 .378 .927 .474 .5 13.4 |
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Wat7 -.098 .345 .550 .5 14.9 |
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Wat8 -.535 .285 .399 13.3 |
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Wat9 .420 .755 .409 .5 4.2 |
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Wat10 .471 .618 .373 .5 6.2 |
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|
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View JMOL 3-D Structure
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| |
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Orientite |
|
Mellini M, Merlino S, Pasero M |
|
American Mineralogist 71 (1986) 176-187 |
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X-ray and HRTEM structure analysis of orientite |
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_database_code_amcsd 0001007 |
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9.044 6.091 19.031 90 90 90 P2mm |
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atom x y z occ Biso |
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Ca1 .2876 .5 .1608 .39 |
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Ca2 .8136 0 .1569 .75 |
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Ca3 .7093 .5 .6571 1.38 |
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Ca4 .1836 0 .6578 .36 |
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Mn1 .2560 .2511 .0018 .19 |
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Mn2 .5507 .2488 .25 .84 .06 |
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Mn3 .7511 .2591 -.0028 .47 |
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Si1 -.0256 .5 .0934 1.12 |
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Si2 .4763 0 .1006 .06 |
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Si3 -.1026 .5 .25 .84 .06 |
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Si4 .1949 0 .25 .84 .37 |
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Si5 .0454 .5 .5963 .06 |
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Si6 .5258 0 .5971 .25 |
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Si7 .1197 .5 .75 .42 |
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Si8 .6029 0 .75 .68 4.38 |
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Mn2A .0691 .2295 .25 .16 1.41 |
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Si3A .3929 0 .25 .16 .06 |
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Si4A .6936 .5 .25 .16 .06 |
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Mn2B .4615 .2534 .75 .32 .49 |
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Si4B .7956 0 .75 .32 1.00 |
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O1 .3788 .2143 .0791 .62 |
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O2 .8691 .2886 .0781 .30 |
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O3 .1394 .5 .0616 1.25 |
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O4 .6301 0 .0579 .06 |
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O5 .2932 .2383 .25 1.64 |
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O6 .7910 .2840 .25 .74 |
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O7 .5599 0 .1779 .36 |
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O8 .0110 .5 .1810 1.02 |
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OH9 .0694 0 .1799 1.62 |
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OH10 .1301 0 .0247 .56 |
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O11 .6409 .5 .0292 .06 |
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OH12 .5284 .5 .1806 2.14 |
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O13 .6270 .2137 .5877 .19 |
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O14 .1289 .2615 .5807 1.07 |
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O15 -.1165 .5 .5604 1.08 |
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O16 .3778 0 .5515 .42 |
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O17 .1954 .2537 .75 .93 |
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O18 .4813 0 .6834 .06 |
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O19 .0060 .5 .6768 .40 |
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OH20 .8617 0 .5410 .06 |
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OH21 .3773 .5 .5268 1.10 |
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O22 .7054 .2104 .75 .05 |
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OH23 -.0782 0 .6799 2.01 |
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OH24 .4300 .5 .6771 .72 |
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|
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| |
|
Ashcroftine-(Y) |
|
Moore P B, Sen Gupta P K, Schlemper E O, Merlino S |
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American Mineralogist 72 (1987) 1176-1189 |
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Ashcroftine, ca. K10Na10(Y,Ca)24(OH)4(CO3)16(Si56O140).16H2O, a |
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structure with enormous polyanions |
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Sample: investigated by Moore, Sen Gupta, Schlemper |
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_database_code_amcsd 0001129 |
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23.994 23.994 17.512 90 90 90 I4/mmm |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1 .2414 .1510 .4128 .0229 .0096 .0080 .0026 -.0009 -.0031 |
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Si2 .2697 .0635 .2945 .0377 .0084 .0101 -.0028 .0060 -.0019 |
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Si3 .2188 .0630 .1339 .0320 .0097 .0133 -.0013 .0001 .0005 |
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O1 .2371 .0935 .3644 .0467 .0207 .0100 -.0010 .0124 -.0132 |
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O2 .2235 .0619 .2264 .0408 .0275 .0102 -.0061 .0019 -.0017 |
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O3 .3018 .1780 .4034 .0172 .0199 .0246 .0079 .0002 -.0074 |
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O4 .2682 .0970 .0958 .0266 .0184 .0202 .0012 -.0014 .0049 |
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O5 .3247 .0958 .2695 .0256 .0190 .0173 -.0050 .0084 -.0024 |
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O6 .1595 .0875 .1160 .0212 .0519 .0882 .0070 -.0076 .0296 |
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O7 .1912 .1912 .3848 .0192 .0192 .0021 .0135 -.0062 -.0062 |
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O8 .2297 .1322 .5 .0485 .0123 .0056 -.0780 0 0 |
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O9 .2807 0 .3205 .0490 .0086 .0201 0 .0039 0 |
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O10 .2200 0 .1033 .0884 .0049 .0154 0 -.0021 0 |
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C1 .4002 0 .1582 .0246 .0660 .0428 0 -.0040 0 |
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O11 .4261 .0469 .1713 .0446 .0435 .0627 .0004 .0024 .0003 |
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O12 .3529 0 .1315 .0288 .1579 .0423 0 -.0135 0 |
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C2 .3709 .0923 .5 .0499 .0597 .0219 .0217 0 0 |
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O13 .3596 .0693 .4353 .0501 .0282 .0148 .0083 -.0053 -.0036 |
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O14 .3932 .1411 .5 .0356 .0229 .0245 -.0101 0 0 |
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OH1 .2473 .2473 .5 .0083 .0083 .0005 .0018 0 0 |
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OW1 .1264 .1264 .2782 .0904 .0904 .0328 .0697 -.0417 -.0417 |
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OW2 .5 0 0 .0345 .0380 .0178 0 0 0 |
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Y1 .3556 .1152 .1468 .0167 .0277 .0113 .0052 .0000 .0035 |
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Y2 .2679 .1618 0 .0181 .0149 .0114 .0003 0 0 |
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K1 .2704 0 .5 .0493 .0854 .0428 0 0 0 |
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K2 .3057 0 0 .0662 .0669 .0411 0 0 0 |
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Na1 .5 0 .25 .0258 .0258 .0679 0 0 0 |
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SiT1D .1336 .1336 .0622 .38 .0037 .0037 .0013 .0002 .0146 .0146 |
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SiT2D .0986 .0986 .0905 .39 .0134 .0134 .0071 -.0074 -.0032 -.0032 |
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K1D .2158 .2158 .2057 .30 .1510 .1510 .0963 -.0665 -.0014 -.0014 |
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Na1D .4181 0 .3924 .45 .0295 .0236 .0558 0 .0069 0 |
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Na2D .3900 0 .3585 .28 .0496 .0001 .0618 0 .0201 0 |
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Na3D 0 0 0 .42 -.0313 -.0313 .7257 0 0 0 |
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OH1D .1859 .1859 .0772 .49 .0286 .0286 .0663 -.0049 .0307 .0307 |
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OH2D .0532 .0532 .1270 .30 .0344 .0344 .0353 -.0506 .0054 .0054 |
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OH3D .1441 .1086 0 .13 .0001 .0167 .0001 -.0047 0 0 |
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O4D .0983 .0983 0 .54 .0496 .0496 .0001 -.0280 0 0 |
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OH5D .1036 0 0 .36 .0429 .0022 .1354 0 0 0 |
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OH6D .1733 .1733 0 .50 .0222 .0222 .1546 .0048 0 0 |
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|
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View JMOL 3-D Structure
|
| |
|
Ashcroftine-(Y) |
|
Moore P B, Sen Gupta P K, Schlemper E O, Merlino S |
|
American Mineralogist 72 (1987) 1176-1189 |
|
Ashcroftine, ca. K10Na10(Y,Ca)24(OH)4(CO3)16(Si56O140).16H2O, a |
|
structure with enormous polyanions |
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Sample: investigated by Merlino |
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_database_code_amcsd 0001130 |
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24.039 24.039 17.538 90 90 90 I4/mmm |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1 .2417 .1513 .4127 .0175 .0134 .0109 .0036 .0004 -.0016 |
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Si2 .2696 .0637 .2940 .0284 .0099 .0152 -.0045 .0066 -.0020 |
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Si3 .2186 .0631 .1338 .0230 .0119 .0223 -.0003 -.0041 .0007 |
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O1 .2368 .0943 .3634 .0231 .0163 .0223 -.0041 .0060 -.0035 |
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O2 .2247 .0622 .2256 .1313 .0362 .0245 .0228 -.0032 .0018 -.0058 |
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O3 .3016 .1784 .4025 .1105 .0179 .0211 .0258 .0017 .0015 -.0034 |
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O4 .2684 .0961 .0950 .0288 .0217 .0253 .0009 .0014 .0050 |
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O5 .3254 .0952 .2700 .0213 .0194 .0257 -.0025 .0077 -.0035 |
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O6 .1591 .0885 .1153 .0249 .0491 .1210 -.0054 -.0083 .0331 |
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O7 .1905 .1905 .3839 .0135 .0135 .0212 .0053 -.0029 -.0029 |
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O8 .2293 .1320 .5 .0312 .0352 .0155 .0153 -.0048 0 0 |
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O9 .2811 0 .3215 .077 .0439 .0154 .0232 0 .0055 0 |
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O10 .2189 0 .1014 .0883 .0202 .0235 0 -.0120 0 |
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C1 .4027 0 .1574 .0329 .0521 .0262 0 -.0023 0 |
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O11 .4271 .0468 .1698 .0414 .0293 .0630 -.0004 .0011 .0005 |
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O12 .3518 0 .1320 .0235 .1202 .0590 0 -.0054 0 |
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C2 .3709 .0919 .5 .0273 .0233 .0273 .0034 0 0 |
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O13 .3590 .0686 .4361 .0468 .0245 .0180 .0035 .0029 -.0004 |
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O14 .3944 .1398 .5 .0303 .0184 .0236 -.0044 0 0 |
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OH1 .2475 .2475 .5 .0147 .0147 .0267 .0075 0 0 |
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OW1 .1285 .1285 .2784 .0386 .0386 .0157 .0263 -.0228 -.0228 |
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OW2 .5 0 0 .0304 .0610 .0189 0 0 0 |
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Y1 .3559 .1145 .1465 .89 .0129 .0194 .0125 .0031 -.0009 .0029 |
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Ca1 .3559 .1145 .1465 .11 .0129 .0194 .0125 .0031 -.0009 .0029 |
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Y2 .2677 .1616 0 .79 .0151 .0127 .0110 .0005 0 0 |
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Ca2 .2677 .1616 0 .21 .0151 .0127 .0110 .0005 0 0 |
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K1 .2696 0 .5 .0573 .0364 .0490 0 0 0 |
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K2 .3055 0 0 .0505 .0605 .0376 0 0 0 |
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Na1 .5 0 .25 .0206 .0206 .0593 0 0 0 |
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SiT1D .1344 .1344 .0675 .20 .0223 |
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BT1D .1344 .1344 .0675 .52 .0223 |
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SiT2D .0986 .0986 .0901 .28 .0258 |
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K1D .2146 .2146 .2089 .25 .0930 .0930 .0897 -.0279 -.0116 -.0116 |
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Na1D .4210 0 .3946 .5 .0404 .0527 .0905 0 .0191 0 |
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Na2D .3902 0 .3611 .5 .0571 .0148 .1366 0 -.0629 0 |
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Na3D 0 0 .0322 .4 .0266 |
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OH1D .1835 .1835 .0746 .61 |
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OH2D .0545 .0545 .1238 .28 |
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OH3D .1426 .1124 0 .31 .079 |
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O4D .0948 .0948 0 .63 .0623 |
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OH5D .1099 0 0 .66 |
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OH6D .1776 .1776 0 .49 |
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|
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|
| |
|
Renierite |
|
Bernstein L R, Reichel D G, Merlino S |
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American Mineralogist 74 (1989) 1177-1181 |
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Renierite crystal structure refined from Rietveld analysis of powder |
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neutron-diffrection data |
|
_database_code_amcsd 0001278 |
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10.6226 10.6226 10.5506 90 90 90 P-42c |
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atom x y z occ Biso |
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Cu1 .2484 0 .25 .82 1.6 |
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Cu2 .2336 .5 .25 .90 1.8 |
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Cu3 0 .5 .0015 .96 1.3 |
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Cu4 .2544 .2585 .5107 1.4 |
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Zn 0 0 0 2.4 |
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Ge 0 .2498 .25 .81 0.6 |
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Fe1 .5 .2646 .25 .90 0.9 |
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Fe2 .5 0 .25 .84 0.9 |
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Fe3 .5 .5 0 .92 0.3 |
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S1 .3938 .1390 .1240 1.0 |
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S2 .1232 .3699 .1186 1.0 |
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S3 .3797 .3766 .3736 1.0 |
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S4 .1225 .1398 .3852 1.0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pahasapaite |
|
Rouse R C, Peacor D R, Merlino S |
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American Mineralogist 74 (1989) 1195-1202 |
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Crystal structure of pahasapaite, a beryllophosphate mineral with a |
|
distorted zeolite rho framework |
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Locality: Tip Top mine, Custer, South Dakota, USA |
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_database_code_amcsd 0001280 |
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13.781 13.781 13.781 90 90 90 I23 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .3615 .0357 .0301 .229 0.057 0.042 0.040 -0.012 -0.015 0.013 |
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Li1 .3615 .0357 .0301 .150 0.057 0.042 0.040 -0.012 -0.015 0.013 |
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K1 .3615 .0357 .0301 .050 0.057 0.042 0.040 -0.012 -0.015 0.013 |
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Na1 .3615 .0357 .0301 .008 0.057 0.042 0.040 -0.012 -0.015 0.013 |
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Li2 .3013 .3013 .3013 0.024 0.024 0.024 0.002 0.002 0.002 |
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P .2771 .1240 .4224 0.009 0.008 0.010 0.000 0.003 0.000 |
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Be .4207 .1210 .2675 0.012 0.006 0.011 0.000 0.007 0.000 |
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O1 .2246 .2178 .3914 0.010 0.010 0.016 -0.002 0.001 0.001 |
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O2 .3781 .1245 .3766 0.012 0.020 0.012 0.003 0.002 0.001 |
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O3 .3791 .0329 .2041 0.016 0.013 0.016 0.001 -0.004 -0.001 |
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O4 .2160 .0383 .3889 0.018 0.010 0.016 -0.001 -0.004 0.001 |
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Wat1 .3851 .3851 .3851 0.039 0.039 0.039 -0.008 -0.008 -0.008 |
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Wat2 .4768 0 0 .5 0.015 0.039 0.010 0 0 0.023 |
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Wat3 .2171 .1095 .0714 .5 0.032 0.069 0.051 0.006 0.019 0.007 |
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Wat4 .2459 .0765 .0504 .5 0.058 0.093 0.099 0.026 0.046 0.035 |
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|
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| |
|
Pitiglianoite |
|
Merlino S, Mellini M, Bonaccorsi E, Pasero M, Leoni L, Orlandi P |
|
American Mineralogist 76 (1991) 2003-2008 |
|
Pitiglianoite, a new feldspathoid from southern Tuscany, Italy: Chemical |
|
composition and crystal structure |
|
_database_code_amcsd 0001438 |
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22.121 22.121 5.221 90 90 120 P6_3 |
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atom x y z occ Uiso |
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Si1 .8334 .2506 .2864 .0069 |
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Si2 .9141 .4983 .7875 .0082 |
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Si3 .9159 .7503 .7865 .0082 |
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Al1 .9144 .1650 .2858 .0072 |
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Al2 .9183 .4205 .2876 .0082 |
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Al3 .8298 .5828 .7891 .0100 |
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O1 .8673 .5334 .7190 .014 |
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O2 .9988 .7978 .7183 .013 |
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O3 .8694 .3332 .2188 .014 |
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O4 .8947 .6691 .7654 .021 |
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O5 .9956 .5592 .7669 .025 |
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O6 .8939 .2302 .2570 .019 |
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O7 .7703 .2090 .0842 .019 |
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O8 .8944 .4344 .5875 .013 |
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O9 .8977 .1256 .5829 .012 |
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O10 .8945 .4639 .0721 .017 |
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O11 .8686 .0978 .0701 .018 |
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O12 .7995 .2373 .5719 .019 |
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Na .3342 .3334 .6619 .037 |
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Wat1 .3091 .3072 .2324 .333 .073 |
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Wat2 .3618 .3290 .2285 .333 .035 |
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Wat3 .3373 .3509 .2238 .333 .091 |
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K1 .7790 .4461 .3241 .667 .032 |
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Na1 .7790 .4461 .3241 .333 .032 |
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Na1 .6660 .4844 .8171 .022 |
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S1 2/3 1/3 .8207 .038 |
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OA1 .7041 .3444 .5860 .333 .20 |
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OB1 .7241 .3319 .9715 .095 |
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K2 .9997 .1119 .8286 .667 .0285 |
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Na2 .9997 .1119 .8286 .333 .0285 |
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Na2 .8495 -.0001 .3219 .0164 |
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S2 0 0 .3375 .5 .036 |
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OA2 .0269 .0387 .5661 .167 .13 |
|
OB2 .0584 .0569 .1804 .5 .104 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Colusite |
|
Spry P G, Merlino S, Wang S, Zhang X, Buseck P R |
|
American Mineralogist 79 (1994) 750-762 |
|
New occurrences and refined crystal chemistry of colusite, with comparisons to |
|
arsenosulvanite |
|
Sample: Sn-rich, crystal 2 |
|
_database_code_amcsd 0001671 |
|
10.621 10.621 10.621 90 90 90 P-43n |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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V 0 0 0 .0096 .0096 .0096 0 0 0 |
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Cu1 .2570 0 0 .0124 .0152 .0257 0 0 .0050 |
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Cu2 .2495 .2495 .2495 .0264 .0264 .0264 .0012 .0012 .0012 |
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Cu3 .25 0 .5 .0112 .0285 .0285 0 0 0 |
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As .25 .5 0 .64 .0173 .0066 .0066 0 0 0 |
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Sn .25 .5 0 .36 .0173 .0066 .0066 0 0 0 |
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S1 .1192 .1192 .1192 .0186 .0186 .0186 -.0015 -.0015 -.0015 |
|
S2 .3704 .3734 .1220 .0140 .0061 .0207 -.0020 .0001 -.0004 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Arsenosulvanite |
|
Spry P G, Merlino S, Wang S, Zhang X, Buseck P R |
|
American Mineralogist 79 (1994) 750-762 |
|
New occurrences and refined crystal chemistry of colusite, with comparisons to |
|
arsenosulvanite |
|
Sample: Sn-poor, crystal 1 |
|
_database_code_amcsd 0001672 |
|
10.538 10.538 10.538 90 90 90 P-43n |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
V 0 0 0 .0079 .0079 .0079 0 0 0 |
|
Cu1 .2592 0 0 .0136 .0228 .0191 0 0 -.0047 |
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Cu2 .2513 .2513 .2513 .735 .0194 .0194 .0194 .0012 .0012 .0012 |
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Cu3 .25 0 .5 .0262 .0269 .0269 0 0 0 |
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As .25 .5 0 .0064 .0077 .0077 0 0 0 |
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S1 .1209 .1209 .1209 .0088 .0088 .0088 -.0004 -.0004 -.0004 |
|
S2 .3655 .3742 .1208 .0286 .0090 .0144 .0065 -.0065 -.0008 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Penkvilksite |
|
Merlino S, Pasero M, Artioli G, Khomyakov A P |
|
American Mineralogist 79 (1994) 1185-1193 |
|
Penkvilksite, a new kind of silicate structure: OD character, X-ray |
|
single-crystal (1M), and powder Rietveld (2O) refinements of two MDO polytypes |
|
Note: polytype 2O |
|
_database_code_amcsd 0001688 |
|
16.3721 8.7492 7.4020 90 90 90 Pnca |
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atom x y z occ Uiso |
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Ti 0 .5 0 .9 .0310 |
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Zr 0 .5 0 .1 .0310 |
|
Si1 .0825 .1613 .1247 .0312 |
|
Si2 .1567 .4399 .2603 .0161 |
|
Na .1023 .6911 .6220 .063 |
|
O1 .1599 .2612 .2006 .025 |
|
O2 .0501 .0372 .2695 .028 |
|
O3 .0074 .2704 .0633 .025 |
|
O4 .1162 .0507 -.0389 .033 |
|
O5 .1115 .5394 .1052 .021 |
|
O6 .25 .5 .2705 .016 |
|
OW .1954 .6844 -.1548 .049 |
|
H1 .173 .586 -.108 .10 |
|
H2 .242 .650 -.232 .14 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Penkvilksite |
|
Merlino S, Pasero M, Artioli G, Khomyakov A P |
|
American Mineralogist 79 (1994) 1185-1193 |
|
Penkvilksite, a new kind of silicate structure: OD character, X-ray |
|
single-crystal (1M), and powder Rietveld (2O) refinements of two MDO polytypes |
|
Note: polytype 1M |
|
Data has been corrected according to the ICSD |
|
_database_code_amcsd 0001689 |
|
8.956 8.727 7.387 90 112.74 90 P2_1/c |
|
atom x y z Uiso |
|
Ti 0 .5 0 .0072 |
|
Si1 .1598 .1599 .1981 .0081 |
|
Si2 .3138 .4423 .4067 .0082 |
|
Na .1928 .6912 .7136 .0266 |
|
O1 .3136 .2621 .3462 .0124 |
|
O2 .1032 .0379 .3202 .0118 |
|
O3 .0207 .2781 .0677 .0119 |
|
O4 .2347 .0519 .0704 .0126 |
|
O5 .2091 .5387 .2153 .0109 |
|
O6 .5 0 0 .0142 |
|
OW .3696 .6888 .0286 .0451 |
|
H1 .330 .605 .093 .17 |
|
H2 .488 .667 .066 .17 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Laurelite |
|
Merlino S, Pasero M, Perchiazzi N, Kampf A R |
|
American Mineralogist 81 (1996) 1277-1281 |
|
Laurelite: Its crystal structure and relationship to alpha-PbF2 |
|
_database_code_amcsd 0001838 |
|
10.267 10.267 3.9844 90 90 120 P-6 |
|
atom x y z occ Uiso |
|
Pb1 .5845 .6934 .5 .955 .0164 |
|
Pb1' .572 .710 0 .045 .051 |
|
Pb2 .8855 .5984 0 .955 .0162 |
|
Pb2' .853 .568 .5 .045 .002 |
|
Pb3 0 0 .5 .955 .0291 |
|
Pb3' 0 0 0 .045 .04 |
|
Cl1 1/3 2/3 0 .022 |
|
Cl2 2/3 1/3 .5 .022 |
|
F1 .048 .620 .5 .018 |
|
F2 .609 .570 0 .024 |
|
F3 .079 .868 0 .039 |
|
F4 .834 .729 .5 .021 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Laurelite |
|
Merlino S, Pasero M, Perchiazzi N, Kampf A R |
|
American Mineralogist 81 (1996) 1277-1281 |
|
Laurelite: Its crystal structure and relationship to alpha-PbF2 |
|
Note: Re-examination of the crystal by H Yang and A Kampf showed that |
|
it was twinned, and the partially occupied sites were relicts. |
|
_database_code_amcsd 0018359 |
|
10.267 10.267 3.9844 90 90 120 P-6 |
|
atom x y z Uiso |
|
Pb1 .5845 .6934 .5 .0164 |
|
Pb2 .8855 .5984 0 .0162 |
|
Pb3 0 0 .5 .0291 |
|
Cl1 1/3 2/3 0 .022 |
|
Cl2 2/3 1/3 .5 .022 |
|
F1 .048 .620 .5 .018 |
|
F2 .609 .570 0 .024 |
|
F3 .079 .868 0 .039 |
|
F4 .834 .729 .5 .021 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Clinotobermorite |
|
Merlino S, Bonaccorsi E, Armbruster T |
|
American Mineralogist 84 (1999) 1613-1621 |
|
Tobermorites: Their real structure and order-disorder (OD) character |
|
_database_code_amcsd 0002328 |
|
11.274 7.344 11.468 99.18 97.19 90.03 C1 |
|
atom x y z Uiso |
|
Si1 .8931 .2046 .1839 .0014 |
|
Si1A -.8941 -.2096 -.1841 .0014 |
|
Si2 .9963 -.0362 .3553 .0056 |
|
Si2A -.9950 .0383 -.3608 .0056 |
|
Si3 .8949 -.3726 .1869 .0018 |
|
Si3A -.8946 .3688 -.1859 .0018 |
|
O1 .913 .124 .310 .013 |
|
O1A -.916 -.128 -.309 .013 |
|
O11 .919 -.229 .316 .010 |
|
O11A -.912 .227 -.309 .010 |
|
O2 .771 -.343 .115 .004 |
|
O2A -.767 .348 -.108 .004 |
|
O21 .765 .149 .106 .008 |
|
O21A -.767 -.151 -.111 .008 |
|
O3 .005 -.355 .111 .005 |
|
O3A .003 .357 -.106 .005 |
|
O31 .002 .155 .099 .004 |
|
O31A .005 -.161 -.105 .004 |
|
O4 .891 .431 .237 .009 |
|
O4A -.895 -.432 -.238 .009 |
|
O5 .009 -.002 .497 .014 |
|
O6 .127 -.041 .311 .014 |
|
O6A -.124 .053 -.319 .014 |
|
Wat6 -.335 -.051 -.683 .092 |
|
Wat6A .342 .043 .699 .092 |
|
Ca1 .3640 .1072 .9228 .0023 |
|
Ca1A -.3634 -.1042 -.9134 .0023 |
|
Ca3 .8679 .0998 .8981 .0024 |
|
Ca3A -.8711 -.1001 -.9069 .0024 |
|
Ca2 .3113 -.0177 .4289 .025 |
|
Wat5 .514 .009 .511 .023 |
|
Wat7 .260 -.238 .537 .054 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Tobermorite |
|
Merlino S, Bonaccorsi E, Armbruster T |
|
American Mineralogist 84 (1999) 1613-1621 |
|
Tobermorites: Their real structure and order-disorder (OD) character |
|
Sample: 9 Angstrom |
|
_database_code_amcsd 0002329 |
|
11.156 7.303 9.566 101.08 92.83 89.98 C-1 |
|
atom x y z Uiso |
|
Si1 .3859 .2158 .2234 .013 |
|
Si2 .3181 -.0193 .4343 .025 |
|
Si3 .3883 .6416 .2173 .015 |
|
O1 .390 .150 .377 .030 |
|
O11 .390 -.209 .371 .024 |
|
O2 .499 .663 .121 .024 |
|
O21 .502 .152 .136 .018 |
|
O3 .268 .649 .118 .013 |
|
O31 .267 .163 .133 .018 |
|
O4 .403 .441 .277 .022 |
|
O6 .179 -.040 .384 .041 |
|
OH6 .152 .488 .390 .050 |
|
Ca1 .3713 .0981 -.1040 .017 |
|
Ca2 .499 .460 .502 .035 |
|
Ca3 .3647 .5966 -.1175 .017 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tobermorite |
|
Merlino S, Bonaccorsi E, Armbruster T |
|
American Mineralogist 84 (1999) 1613-1621 |
|
Tobermorites: Their real structure and order-disorder (OD) character |
|
Sample: 11 Angstrom |
|
_database_code_amcsd 0002330 |
|
6.735 7.385 22.487 90 90 123.25 Bm |
|
atom x y z Uiso |
|
Si1 .7581 .3862 .15738 .0054 |
|
Si2 .9087 .7531 .07116 .0086 |
|
Si3 .7592 .9697 .15773 .0056 |
|
O1 .771 .5059 .0942 .014 |
|
O2 .759 .178 .1327 .0127 |
|
O3 .985 .5369 .1982 .0090 |
|
O4 .519 .3063 .1942 .012 |
|
O5 .894 .746 0 .017 |
|
OH6 .188 .893 .0940 .018 |
|
Wat6 .270 .434 .0939 .045 |
|
O7 .770 .860 .0951 .015 |
|
O8 .523 .8110 .1951 .011 |
|
O9 .987 .0459 .1985 .010 |
|
Ca1 .2651 .4328 .20557 .0085 |
|
Ca3 .7499 .9228 .29348 .0074 |
|
Wat1 .427 .219 0 .14 |
|
Wat2 .879 .237 0 .061 |
|
Wat3 .422 .800 0 .13 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tumchaite |
| |
Subbotin V V, Merlino S, Pushcharovsky D Y, Pakhomovsky Y A, Ferro O, |
|
Bogdanova A N, Voloshin A V, Sorokhtina N V, Zubkova N V |
|
American Mineralogist 85 (2000) 1516-1520 |
|
Tumchaite Na2(Zr,Sn)Si4O11.2H2O - a new mineral from carbonatites of the |
|
Vuoriyarvi alkali-ultrabasic massif, Murmansk Region, Russia |
|
_database_code_amcsd 0002590 |
|
9.144 8.818 7.537 90 113.22 90 P2_1/c |
|
atom x y z occ Uiso |
|
Zr 0 .5 0 .8 .0076 |
|
Sn 0 .5 0 .2 .0076 |
|
Si1 .1669 .1582 .1993 .0093 |
|
Si2 .3176 .4421 .4124 .0093 |
|
Na .2051 .6884 .7109 .0243 |
|
O1 .3148 .2659 .3454 .0129 |
|
O2 .1164 .0346 .3187 .0126 |
|
O3 .0260 .2676 .0660 .0131 |
|
O4 .2471 .0543 .0791 .0131 |
|
O5 .2145 .5425 .2299 .0120 |
|
O6 .5 0 0 .0157 |
|
OW .3709 .6921 .0371 .0317 |
|
H1 .498 .684 .075 .05 |
|
H2 .352 .602 .090 .05 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Zaccagnaite |
|
Merlino S, Orlandi P |
|
American Mineralogist 86 (2001) 1293-1301 |
|
Carraraite and zaccagnaite, two new minerals from the Carrara marble quarries: |
|
their chemical compositions, physical properties and structural features |
|
_database_code_amcsd 0002735 |
|
3.0725 3.0725 15.114 90 90 120 P6_3/mmc |
|
atom x y z occ Uiso |
|
Al 0 0 0 1/3 .011 |
|
Zn 0 0 0 2/3 .011 |
|
O1 1/3 2/3 .0655 .017 |
|
O2 .241 -.241 .25 .040 |
|
C 0 0 .25 .019 |
|
H 1/3 2/3 .099 .01 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Carraraite |
|
Merlino S, Orlandi P |
|
American Mineralogist 86 (2001) 1293-1301 |
|
Carraraite and zaccagnaite, two new minerals from the Carrara marble quarries: |
|
their chemical compositions, physical properties and structural features |
|
_database_code_amcsd 0002736 |
|
11.056 11.056 10.629 90 90 120 P6_3/m |
|
atom x y z Uiso |
|
Ca .1976 -.0122 .25 .023 |
|
Ge 0 0 0 .018 |
|
O1 .3985 .2348 .25 .041 |
|
O2 .2593 .4054 .25 .037 |
|
O3 .0153 .3461 .0705 .044 |
|
O4 .1349 .1269 .1110 .023 |
|
S 1/3 2/3 -.0110 .026 |
|
C 1/3 2/3 .0379 .033 |
|
OA 1/3 2/3 -.1473 .031 |
|
OB .1960 .6224 .0379 .039 |
|
H11 .326 .253 .25 .03 |
|
H12 .503 .229 .25 .03 |
|
H2 .276 .424 .178 .03 |
|
H31 -.068 .292 .055 .03 |
|
H32 .108 .465 .070 .03 |
|
H4 .191 .179 .084 .03 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Calcioaravaipaite |
|
Kampf A R, Merlino S, Pasero M |
|
American Mineralogist 88 (2003) 430-435 |
|
Order-disorder approach to calcioaravaipaite, [PbCa2Al(F,OH)9]: |
|
The crystal structure of the triclinic MDO polytype |
|
_database_code_amcsd 0002987 |
|
7.722 7.516 12.206 98.86 96.91 90.00 C-1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .74457 .52709 .10749 .0202 .0207 .0218 .0185 .0001 .0041 .0027 |
|
Ca1 .3925 .6497 .6144 .0120 .0105 .0102 .0160 .0001 .0030 .0028 |
|
Ca2 .8932 .6576 .6137 .0118 .0115 .0082 .0155 -.0009 .0017 .0013 |
|
Al1 .2511 .5453 .1813 .0142 .013 .014 .018 -.0003 .003 .005 |
|
F1 .0673 .5655 .2648 .017 .013 .020 .020 -.004 .006 .004 |
|
F2 .8449 .8984 .2749 .021 .018 .028 .020 .003 .004 .005 |
|
F3 .1484 .6981 .0948 .030 .016 .015 .023 .000 .002 -.006 |
|
F4 .4319 .5265 .1002 .022 .030 .025 .035 .004 -.002 .013 |
|
F5 .6474 .8513 .0930 .027 .013 .009 .014 -.001 .002 -.001 |
|
F6 .3443 .7371 .2768 .019 .016 .010 .015 .002 .004 .000 |
|
F7 .1273 .6210 .4991 .012 .019 .022 .027 .007 .004 .013 |
|
F8 .6201 .6304 .5053 .014 .027 .015 .020 -.003 .004 .003 |
|
F9 .6854 .5714 .2905 .021 .028 .021 .029 -.008 -.004 -.002 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Datolite |
|
Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R |
|
American Mineralogist 89 (2004) 767-776 |
|
The atomic structure of bakerite and its relationship to datolite |
|
Sample: #45837, single crystal data |
|
_database_code_amcsd 0003540 |
|
4.850 7.627 9.659 90 90.255 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .9916 .1066 .3357 .012 .011 .012 .013 .000 .001 .000 |
|
Si .4692 .2657 .0846 .011 .011 .011 .011 .000 .001 -.001 |
|
B .5692 .4107 .3417 .010 .008 .011 .012 .001 -.001 -.002 |
|
O1 .2430 .4011 .0374 .013 .013 .013 .014 .002 -.001 -.001 |
|
O2 .6707 .3006 .4581 .011 .008 .014 .013 .001 .000 .001 |
|
O3 .6755 .3335 .2107 .012 .010 .014 .012 .000 -.001 -.001 |
|
O4 .3148 .0877 .1462 .011 .010 .010 .015 -.001 .003 .001 |
|
O5 .2587 .4130 .3356 .012 .010 .015 .012 .002 .001 -.002 |
|
H .234 .455 .401 .020 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bakerite |
|
Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R |
|
American Mineralogist 89 (2004) 767-776 |
|
The atomic structure of bakerite and its relationship to datolite |
|
Sample: Refinement of the conventional X-ray data for sample #92735 |
|
_database_code_amcsd 0003541 |
|
4.8014 7.5780 9.5419 90 90.434 90 P2_1/c |
|
atom x y z occ Uiso |
|
Ca .9914 .10838 .33369 .026 |
|
SiT1 .4738 .26347 .08664 .75 .025 |
|
BT1 .4738 .26347 .08664 .25 .025 |
|
BT2 .5629 .41243 .33705 .028 |
|
O1 .2604 .4081 .0389 .75 .020 |
|
OH1 .2604 .4081 .0389 .25 .020 |
|
O2 .6604 .3046 .4559 .027 |
|
O3 .6850 .3265 .2104 .022 |
|
O4 .3226 .0935 .1454 .021 |
|
OH5 .2582 .4115 .3368 .026 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bakerite |
|
Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R |
|
American Mineralogist 89 (2004) 767-776 |
|
The atomic structure of bakerite and its relationship to datolite |
|
Sample: Refinement of the synchrotron data for sample #92735 |
|
_database_code_amcsd 0003542 |
|
4.8005 7.5788 9.5432 90 90.437 90 P2_1/c |
|
atom x y z occ Uiso |
|
Ca .9918 .10663 .33305 .013 |
|
SiT1 .4793 .2630 .0881 .75 .013 |
|
BT1 .4793 .2630 .0881 .25 .013 |
|
BT2 .5593 .4086 .3395 .021 |
|
O1 .2592 .4013 .0346 .75 .011 |
|
OH1 .2592 .4013 .0346 .25 .011 |
|
O2 .6733 .3050 .4598 .011 |
|
O3 .6854 .3267 .2108 .010 |
|
O4 .3135 .0901 .1454 .019 |
|
OH5 .2540 .4066 .3402 .011 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bakerite |
|
Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R |
|
American Mineralogist 89 (2004) 767-776 |
|
The atomic structure of bakerite and its relationship to datolite |
|
Sample: Refinement of the neutron data (RT) for sample #92735 |
|
_database_code_amcsd 0003543 |
|
4.7967 7.5711 9.5321 90 90.427 90 P2_1/c |
|
atom x y z occ Uiso |
|
Ca .9936 .1082 .3315 .0054 |
|
SiT1 .4761 .2578 .0896 .75 .014 |
|
BT1 .4761 .2578 .0896 .25 .014 |
|
BT2 .5684 .4063 .3423 .012 |
|
O1 .2616 .4013 .0375 .015 |
|
O2 .6681 .2999 .4611 .009 |
|
O3 .6775 .3320 .2103 .011 |
|
O4 .3166 .0868 .1445 .008 |
|
O5 .2595 .4087 .3392 .012 |
|
H1 .1995 .4668 .4328 .044 |
|
H2 .3994 .4663 -.0066 .25 .044 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bakerite |
|
Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R |
|
American Mineralogist 89 (2004) 767-776 |
|
The atomic structure of bakerite and its relationship to datolite |
|
Sample: Refinement of the neutron data (LT) for sample #92735 |
|
_database_code_amcsd 0003544 |
|
4.7892 7.5644 9.5362 90 90.476 90 P2_1/c |
|
atom x y z occ Uiso |
|
Ca .9958 .1103 .3326 .012 |
|
SiT1 .4768 .2534 .0857 .75 .008 |
|
BT1 .4768 .2534 .0857 .25 .008 |
|
BT2 .5691 .4074 .3426 .010 |
|
O1 .2614 .4036 .0412 .014 |
|
O2 .6759 .3032 .4632 .014 |
|
O3 .6762 .3259 .2126 .015 |
|
O4 .3146 .0872 .1439 .009 |
|
O5 .2581 .4081 .3397 .008 |
|
H1 .1943 .4595 .4301 .026 |
|
H2 .4142 .4826 .0047 .25 .026 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bakerite |
|
Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R |
|
American Mineralogist 89 (2004) 767-776 |
|
The atomic structure of bakerite and its relationship to datolite |
|
Sample: Combined refinement |
|
_database_code_amcsd 0003545 |
|
4.80042 7.57864 9.5426 90 90.435 90 P2_1/c |
|
atom x y z occ Uiso |
|
Ca .99295 .10749 .33320 .0129 |
|
SiT1 .4754 .26337 .08782 .75 .0114 |
|
BT1 .4754 .26337 .08782 .25 .0114 |
|
BT2 .5623 .41009 .33929 .014 |
|
O1 .2566 .4032 .03594 .011 |
|
O2 .6685 .3032 .45842 .009 |
|
O3 .6854 .3277 .21010 .008 |
|
O4 .3146 .0909 .14570 .012 |
|
O5 .2557 .4065 .33656 .016 |
|
H1 .1877 .4614 .4290 .031 |
|
H2 .4265 .4772 .0387 .25 .031 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cualstibite |
|
Bonaccorsi E, Merlino S, Orlandi P |
|
American Mineralogist 92 (2007) 198-203 |
|
Zincalstibite, a new mineral, and cualstibite: Crystal chemical and structural |
|
relationships |
|
_database_code_amcsd 0004272 |
|
9.150 9.150 9.745 90 90 120 P-3 |
|
atom x y z occ Uiso |
|
Cu .6717 .0095 .5005 .0241 |
|
Al1 0 0 .5 .0104 |
|
Al2 1/3 2/3 .5045 .0121 |
|
Sb1 0 0 0 .0217 |
|
Sb2 1/3 2/3 .0034 .0229 |
|
O1 .5190 .8286 .1248 .88 .030 |
|
O2 .1172 .2044 .6020 .035 |
|
O3 .5035 .6575 -.1110 .88 .028 |
|
O4 .0155 -.1669 -.1180 .88 .034 |
|
O5 .5415 .7876 .4037 .025 |
|
O6 .1261 .5431 .6049 .025 |
|
O1A .829 .518 .874 .12 .04 |
|
O3A .658 .503 .111 .12 .04 |
|
O4A .833 .015 .118 .12 .04 |
|
H1 .471 .901 .108 .04 |
|
H2 .204 .087 .294 .04 |
|
H3 .579 .779 -.085 .04 |
|
H4 .741 .843 .097 .04 |
|
H5 .542 .789 .300 .04 |
|
H6 .542 .416 .292 .04 |
|
|
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|
| |
|
Zincalstibite |
| |
Bonaccorsi E, Merlino S, Orlandi P |
|
American Mineralogist 92 (2007) 198-203 |
|
Zincalstibite, a new mineral, and cualstibite: Crystal chemical and structural |
|
relationships |
|
Locality: Lucchetti marble quarry, Fantiscritti marble basin, Carrara, Apuan |
|
Alps, Tuscany, Italy |
|
_database_code_amcsd 0004273 |
|
5.3270 5.3270 9.792 90 90 120 P-3 |
|
atom x y z occ Uiso |
|
Zn 1/3 2/3 .5002 .81 .012 |
|
Al 1/3 2/3 .5002 .19 .012 |
|
Al 0 0 .5 .63 .008 |
|
Zn 0 0 .5 .37 .008 |
|
Sb 0 0 0 .017 |
|
O1 .317 .319 .3977 .011 |
|
O2 -.137 .207 -.1198 .026 |
|
H1 .336 .348 .308 .05 |
|
H2 -.289 .186 -.103 .05 |
|
|
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|
| |
|
Fukalite |
|
Merlino S, Bonaccorsi E, Grabezhev A I, Zadov A E, Pertsev N N, Chukanov N V |
| |
American Mineralogist 94 (2009) 323-333 |
|
Fukalite: An example of an OD structure with two-dimensional disorder |
|
Locality: Gumeshevsk skarn, Central Urals, Russia |
|
_database_code_amcsd 0004836 |
|
7.573 23.364 11.544 90 109.15 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 .4339 .0436 .1247 .012 .009 .014 .012 .000 .002 .000 |
|
Ca1A .9391 .0437 .1237 .012 .008 .014 .011 .000 .002 .000 |
|
Ca4 .3111 -.0452 .3734 .012 .009 .015 .011 .000 .002 .000 |
|
Ca4A .8112 -.0457 .3737 .013 .010 .015 .013 .000 .003 .001 |
|
Ca2 .2768 -.3094 .3037 .015 .012 .016 .013 .001 .000 -.001 |
|
Ca2A .7776 -.3091 .3074 .014 .011 .015 .013 .000 .001 .000 |
|
Ca3 .5957 -.1932 .4398 .014 .011 .014 .013 .000 .000 -.001 |
|
Ca3A .0963 -.1929 .4435 .014 .013 .016 .012 .000 .001 -.001 |
|
Si1 .4743 -.0860 .1237 .014 .014 .015 .013 .000 .002 .000 |
|
Si1A .8998 -.0863 .1257 .014 .014 .014 .013 .001 .002 .000 |
|
Si2 .3946 -.2179 .1218 .015 .016 .016 .012 .001 .002 .000 |
|
Si2A .9798 -.2182 .1274 .015 .016 .016 .012 .000 .002 .000 |
|
C1 .3117 .0816 .3764 .010 |
|
C1A .8149 .0796 .3761 .011 |
|
O1 .1192 .0506 -.0049 .014 |
|
O1A .6267 .0489 -.0037 .013 |
|
O2 .4915 -.0480 .2429 .013 |
|
O2A .0014 -.0473 .2436 .013 |
|
O3 .3657 .0515 .4774 .016 |
|
O3A .8632 .0496 .4773 .016 |
|
O4 .2616 .0538 .2740 .017 |
|
O4A .7608 .0518 .2735 .016 |
|
O5 .3164 .1353 .3792 .020 |
|
O5A .8143 .1332 .3786 .021 |
|
O6 .5335 -.2421 .2457 .019 |
|
O6A -.0246 -.2432 .2542 .019 |
|
O7 .3967 -.2413 -.0067 .019 |
|
O7A .8411 -.2409 .0017 .019 |
|
O8 .1865 -.2414 .1246 .019 |
|
O8A .6880 -.1011 .1275 .021 |
|
O9 .3808 -.1479 .1236 .020 |
|
O9A .9952 -.1482 .1311 .020 |
|
OH1 .3091 -.1443 .3736 .013 |
|
OH1A .8174 -.1437 .3784 .013 |
|
OH2 .4434 .1423 .1298 .013 |
|
OH2A .9347 .1434 .1242 .014 |
|
H1 .2763 -.1503 .2997 .050 |
|
H1A .7735 -.1509 .2973 .050 |
|
H2 .3970 .1509 .0516 .050 |
|
H2A .8984 .1479 .0450 .050 |
|
|
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|
| |
|
Caysichite-(Y) |
|
Mellini M, Merlino S |
|
The Canadian Mineralogist 16 (1978) 81-88 |
|
Caysichite: A double crankshaft chain structure |
|
_database_code_amcsd 0005150 |
|
13.27 13.91 9.73 90 90 90 Ccm2_1 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Y .1403 .1710 .0422 .00091 .00147 .00289 .00021 -.00013 .00052 |
|
Ca .1471 .1647 .4574 .75 .00117 .00198 .00320 -.00040 .00026 -.00058 |
|
Y .1471 .1647 .4574 .25 .00117 .00198 .00320 -.00040 .00026 -.00058 |
|
Si1 .3990 .1103 .0880 .00056 .00021 .00091 -.00010 -.00041 .00009 |
|
Si2 .4069 .1118 .4039 .00018 .00015 .00017 -.00007 .00007 .00002 |
|
O1 .3672 0 .0618 .00085 .00002 .00021 0 -.00051 0 |
|
O2 .3774 0 .4311 .00129 .00128 .00133 0 .00141 0 |
|
O3 .4390 .1228 .2457 .00130 .00072 .00101 -.00031 -.00103 -.00029 |
|
O4 .3092 .1808 .0559 .00042 .00099 .00146 0 .00019 .00077 |
|
O5 .3187 .1831 .4555 .00106 .00071 .00212 .00049 -.00030 -.00079 |
|
O6 .4953 .1382 -.0054 .00133 .00230 .00224 .00038 .00115 -.00077 |
|
Wat12 .1520 .2780 .2482 .00126 .00106 .00255 -.00021 .00118 .00005 |
|
Wat13 .3478 0 .7445 .00850 .00940 .01650 0 -.00950 0 |
|
Wat14 .1698 0 .5297 .50 .00700 .00090 .00580 0 .00360 0 |
|
OH14 .1698 0 .5297 .50 .00700 .00090 .00580 0 .00360 0 |
|
C1 .0681 .1527 .7562 .89 |
|
C2 .1622 0 .1851 .68 |
|
O7 .1632 .1381 .7701 2.41 |
|
O8 .0226 .1597 .6407 1.26 |
|
O9 .0200 .1635 .8693 1.09 |
|
O10 .1391 0 .0583 1.59 |
|
O11 .1721 .0809 .2538 .69 |
|
|
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|
| |
|
Stibivanite |
|
Merlino S, Orlandi P, Perchiazzi N, Basso R, Palenzona A |
|
The Canadian Mineralogist 27 (1989) 625-632 |
|
Polytypism in stibivanite |
|
_database_code_amcsd 0005232 |
|
17.916 4.790 5.509 90 90 90 Pmcn |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sb -.08889 .46995 .17640 .0113 .0107 .0107 .0008 -.0003 -.0007 |
|
V -.25 .12246 .32504 .0107 .0151 .0086 0 0 .0004 |
|
O1 -.25 -.21343 .34081 .0309 .0165 .0245 0 0 .0051 |
|
O2 -.17787 .24051 .07425 .0075 .0142 .0098 -.0019 .0014 -.0008 |
|
O3 -.04311 .16118 .36597 .0131 .0209 .0091 .0019 .0035 .0019 |
|
|
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|
| |
|
Liottite |
|
Ballirano P, Merlino S, Bonaccorsi E, Maras A |
|
The Canadian Mineralogist 34 (1996) 1021-1030 |
|
The crystal structure of liottite, a six-layer member of the cancrinite group |
|
_database_code_amcsd 0005509 |
|
12.870 12.870 16.096 90 90 120 P-6 |
|
atom x y z occ Uiso |
|
Si1 .9954 .7437 0 .0077 |
|
Al1 .3339 .4088 .83304 .0081 |
|
Si2 .67182 .08217 .66374 .0075 |
|
Al2 .3364 .4097 .5 .0071 |
|
Si3 .58517 .66611 .83287 .0077 |
|
Al3 .7378 .7488 0 .0076 |
|
Si4 .5873 .6700 .5 .0072 |
|
Al4 .9282 .3431 .66345 .0079 |
|
O1 .8771 .1258 0 .0250 |
|
O2 .1025 .8798 0 .0207 |
|
O3 .9943 .6706 .9182 .0190 |
|
O4 .6631 .6698 .9119 .0203 |
|
O5 .2179 .7886 .8253 .0209 |
|
O6 .4501 .5552 .8386 .0209 |
|
O7 .3463 .3310 .7491 .0179 |
|
O8 .6574 .6560 .7543 .0193 |
|
O9 .5464 .4367 .6545 .0170 |
|
O10 .7933 .2105 .6632 .0266 |
|
O11 .6772 .0062 .5856 .0179 |
|
O12 .6659 .6735 .5794 .0177 |
|
O13 .2173 .7836 .5 .0197 |
|
O14 .4540 .5557 .5 .0148 |
|
Ca1 1/3 2/3 .5 .0162 |
|
Ca2 1/3 2/3 .8330 .0172 |
|
Ca3 0 0 .9783 .5 .0219 |
|
Ca4 2/3 1/3 .3915 .5 .0191 |
|
Ca5 2/3 1/3 .3436 .5 .0294 |
|
K1 .8463 .1651 .5 .0170 |
|
K1a .857 .143 .5 .0170 |
|
K2 .1125 .8864 .6651 .0392 |
|
K2a .145 .851 .675 .0392 |
|
K3 .8364 .1722 .8313 .0248 |
|
K3a .816 .191 .847 .0248 |
|
K4 .5543 .4458 0 .0338 |
|
F .7476 .2700 .5 .167 .0256 |
|
Cl1 1/3 2/3 0 .0732 |
|
Cl2 2/3 1/3 .5 .5 .1608 |
|
Cl3 1/3 2/3 .3335 .0742 |
|
S1 0 0 .7971 .5 .0172 |
|
S1' .977 .013 .7874 .167 .0338 |
|
S2 .0357 .017 .5 1/3 .0348 |
|
S3 2/3 1/3 .8568 .0410 |
|
OS1a 0 0 .886 .5 .1005 |
|
OS1b .1213 .0582 .7676 2/3 .0738 |
|
OS1c .056 .094 .723 1/6 .1154 |
|
OS1d .119 .054 .845 1/3 .0864 |
|
OS2a .119 .058 .426 1/3 .0649 |
|
OS2b .110 .051 .479 1/3 .1349 |
|
OS3a 2/3 1/3 .2409 .5 .0350 |
|
OS3b .7285 .4595 .8789 2/3 .0366 |
|
OS3c .692 .298 .211 1/6 .0931 |
|
OS3d .728 .288 .913 1/3 .1281 |
|
|
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|
| |
|
IMA2008-065 |
| |
Ballirano P, Bonaccorsi E, Merlino S |
|
The Canadian Mineralogist 36 (1998) 1285-1292 |
|
Carbonate groups in davyne: Structural and crystal-chemical considerations |
|
_database_code_amcsd 0005578 |
|
12.6916 12.6916 5.3333 90 90 120 P6_3 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si .32745 .40795 .746 .0066 .0082 .0097 .0040 .0004 .0006 |
|
Al .06911 .40807 .746 .0077 .0084 .0095 .0047 .0003 .0004 |
|
O1 .2138 .4297 .717 .0117 .0267 .0437 .0140 .0044 .0108 |
|
O2 .0977 .5557 .741 .0195 .0103 .0225 .0089 .0001 .0000 |
|
O3 .0030 .3254 .018 .0274 .0201 .0193 .0164 .0139 .0085 |
|
O4 .3147 .3354 .001 .0183 .0204 .0160 .0064 -.0050 .0072 |
|
Ca 2/3 1/3 .218 .0148 .0148 .0256 .0074 0 0 |
|
Cl .336 .650 .221 .33 .1357 .1119 .0211 .0849 -.0283 -.0247 |
|
NaM1 .1179 .2459 .288 .43 .0209 .0432 .0381 .0222 .0048 -.0041 |
|
CaM1 .1179 .2459 .288 .10 .0209 .0432 .0381 .0222 .0048 -.0041 |
|
NaM2 .119 .234 .219 .22 .0337 .0715 .0357 .0423 .0094 -.0071 |
|
CaM2 .119 .234 .219 .05 .0337 .0715 .0357 .0423 .0094 -.0071 |
|
NaM3 .154 .316 .260 .16 .0549 .1622 .0344 .0840 -.0046 -.0066 |
|
CaM3 .154 .316 .260 .04 .0549 .1622 .0344 .0840 -.0046 -.0066 |
|
C1 0 0 .167 .29 |
|
OC1 .114 .059 .167 .29 .0222 .0276 .1200 .0120 -.0013 -.0178 |
|
C2 0 0 .380 .10 |
|
OC2 .118 .060 .380 .19 .0222 .0276 .1200 .0120 -.0013 -.0178 |
|
S 0 0 .266 .09 |
|
OS 0 0 .98 .09 |
|
Cl1 .014 .059 .08 .048 |
|
|
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|
| |
|
Bideauxite |
|
Cooper M A, Hawthorne F C, Merlino S, Pasero M, Perchiazzi N |
|
The Canadian Mineralogist 37 (1999) 915-921 |
|
Stereoactive lone-pair behavior of Pb in the crystal structure of |
|
bideauxite: Pb2AgCl3F(OH) |
|
Sample: CH |
|
_database_code_amcsd 0005624 |
|
14.1273 14.1273 14.1273 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb .22185 .22185 .22185 .0206 .0206 .0206 -.0038 -.0038 -.0038 |
|
Ag 1/2 1/2 1/2 .0340 .0340 .0340 .0101 .0101 .0101 |
|
Cl .8380 1/8 1/8 .0360 .0219 .0219 0 0 -.0014 |
|
OH .0548 .0548 .0548 .5 .0158 .0158 .0158 -.0012 -.0012 -.0012 |
|
F .0548 .0548 .0548 .5 .0158 .0158 .0158 -.0012 -.0012 -.0012 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bideauxite |
|
Cooper M A, Hawthorne F C, Merlino S, Pasero M, Perchiazzi N |
|
The Canadian Mineralogist 37 (1999) 915-921 |
|
Stereoactive lone-pair behavior of Pb in the crystal structure of |
|
bideauxite: Pb2AgCl3F(OH) |
|
Sample MPP |
|
_database_code_amcsd 0005625 |
|
14.1376 14.1376 14.1376 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb .22192 .22192 .22192 .0303 .0303 .0303 -.0040 -.0040 -.0040 |
|
Ag 1/2 1/2 1/2 .0446 .0446 .0446 .0110 .0110 .0110 |
|
Cl .8375 1/8 1/8 .0444 .0317 .0317 0 0 -.0002 |
|
OH .0539 .0539 .0539 .5 .0243 .0243 .0243 -.0005 -.0005 -.0005 |
|
F .0539 .0539 .0539 .5 .0243 .0243 .0243 -.0005 -.0005 -.0005 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Normandite |
| |
Perchiazzi N, McDonald A M, Gault R A, Johnsen O, Merlino S |
|
The Canadian Mineralogist 38 (2000) 641-648 |
|
The crystal structure of normandite and its crystal-chemical |
|
relationships with lavenite |
|
Locality: Amdrup Fjord |
|
_database_code_amcsd 0005649 |
|
10.798 9.835 7.090 90 108.08 90 P2_1/a |
|
atom x y z occ Uiso |
|
Ti .28825 .10359 .02313 .612 .0119 |
|
Zr .28825 .10359 .02313 .388 .0119 |
|
Mn .43743 .36943 .85858 .0139 |
|
Ca .30224 .10885 .5255 .66 .0158 |
|
Na .30224 .10885 .5255 .34 .0158 |
|
Na .4256 .3786 .3398 .83 .0206 |
|
Ca .4256 .3786 .3398 .17 .0206 |
|
Si1 .62168 .16485 .2136 .0107 |
|
Si2 .62051 .16633 .6705 .0106 |
|
O1 .6397 .1628 .4508 .0246 |
|
O2 .7411 .2627 .2050 .0156 |
|
O3 .7480 .2512 .8020 .0166 |
|
O4 .6537 .0111 .1633 .0177 |
|
O5 .6300 .0088 .7400 .0186 |
|
O6 .4784 .2209 .0959 .0145 |
|
O7 .4852 .2392 .6538 .0172 |
|
O8 .6235 .4755 .9577 .0179 |
|
F .3881 .5050 .5998 .0226 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Normandite |
| |
Perchiazzi N, McDonald A M, Gault R A, Johnsen O, Merlino S |
|
The Canadian Mineralogist 38 (2000) 641-648 |
|
The crystal structure of normandite and its crystal-chemical |
|
relationships with lavenite |
|
Locality: Mont Saint-Hilaire, Quebec, Canada |
|
_database_code_amcsd 0005650 |
|
10.799 9.801 7.054 90 108.075 90 P2_1/a |
|
atom x y z occ Uiso |
|
Ti .28342 .10168 .0210 .876 .0054 |
|
Nb .28342 .10168 .0210 .124 .0054 |
|
Mn .43676 .36666 .85877 .784 .00926 |
|
Ca .43676 .36666 .85877 .216 .00926 |
|
Ca .30008 .10778 .52449 .72 .00955 |
|
Na .30008 .10778 .52449 .28 .00955 |
|
Na .4243 .3781 .3372 .0089 |
|
Si1 .6206 .1645 .2106 .0060 |
|
Si2 .6209 .1660 .6704 .0060 |
|
O1 .6431 .1601 .4516 .0147 |
|
O2 .7395 .2647 .2014 .0102 |
|
O3 .7461 .2555 .8002 .0103 |
|
O4 .6527 .0107 .1589 .0110 |
|
O5 .6334 .0085 .7431 .0114 |
|
O6 .4765 .2206 .0967 .0095 |
|
O7 .4843 .2366 .6485 .0119 |
|
O8 .6262 .4747 .9571 .0127 |
|
F .3896 .5054 .5992 .0167 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Franzinite |
|
Ballirano P, Bonaccorsi E, Maras A, Merlino S |
|
The Canadian Mineralogist 38 (2000) 657-668 |
|
The crystal structure of franzinite, the ten-layer mineral of |
|
the cancrinite group |
|
_database_code_amcsd 0005652 |
|
12.916 12.916 26.543 90 90 120 P321 |
|
atom x y z occ Uiso |
|
Si1 .5834 .6684 .9018 .0158 |
|
Al1 .4190 .3332 .0978 .0135 |
|
Al2 .5866 .6658 .1963 .019 |
|
Si2 .4158 .3323 .8038 .0121 |
|
Al3 .5927 .6770 .6028 .0120 |
|
Si3 .4162 .3365 .3964 .0139 |
|
Al4 .7511 .7511 0 .018 |
|
Si4 .2472 .2472 0 .013 |
|
Si5 .7486 .7495 .2976 .0131 |
|
Al5 .2540 .2515 .7026 .015 |
|
Si6 .7485 .7485 .5 .014 |
|
Al6 .2544 .2544 .5 .012 |
|
O1 .4462 .218 .1051 .065 |
|
O2 .875 .7478 .2876 .028 |
|
O3 .2425 .1159 .5098 .025 |
|
O4 .322 .0005 .3468 .028 |
|
O5 .671 .002 .6482 .025 |
|
O6 .659 .6760 .5470 .022 |
|
O7 .353 .3302 .4504 .022 |
|
O8 .669 .650 .1495 .049 |
|
O9 .348 .351 .8495 .060 |
|
O10 .4501 .2340 .3901 .022 |
|
O11 .666 .686 .9481 .072 |
|
O12 .327 .307 .0468 .084 |
|
O13 .442 .549 .1995 .035 |
|
O14 .541 .0786 .3940 .026 |
|
O15 .656 .673 .2534 .027 |
|
O16 .344 .320 .7537 .053 |
|
O17 .888 .7821 .6994 .030 |
|
O18 .4275 .220 .8161 .037 |
|
O19 .9157 .454 .0863 .065 |
|
O20 .120 .233 .0106 .074 |
|
S1 .373 .676 .0546 1/3 .064 |
|
S2 .343 .706 .7415 1/3 .078 |
|
S3 .025 .023 .1561 1/3 .080 |
|
S4 1/3 2/3 .3199 .0293 |
|
S5 1/3 2/3 .4884 .0241 |
|
Wat .009 .039 .604 .11 |
|
KA1 2/3 1/3 .8189 .0370 |
|
NaA2 0 0 .490 .5 .20 |
|
NaA3 0 0 .7218 .19 .034 |
|
KA3 0 0 .7218 .17 .034 |
|
NaA3a 0 0 .7477 .10 .034 |
|
KA3a 0 0 .7477 .08 .034 |
|
NaA3b 0 0 .7009 .12 .034 |
|
KA3b 0 0 .7009 .10 .034 |
|
NaA4 0 0 .0318 .24 .060 |
|
KA4 0 0 .0318 .03 .060 |
|
NaA4a 0 0 0 .06 .060 |
|
KA4a 0 0 0 .01 .060 |
|
KA5 2/3 1/3 .3733 .0276 |
|
NaA6 2/3 1/3 .0635 .31 .051 |
|
KA6 2/3 1/3 .0635 .06 .051 |
|
NaA6a 2/3 1/3 .1339 .21 .051 |
|
KA6a 2/3 1/3 .1339 .04 .051 |
|
NaM1 .503 .503 0 .28 .047 |
|
KM1 .503 .503 0 .14 .047 |
|
NaM1a .450 .544 .0150 .09 .047 |
|
KM1a .450 .544 .0150 .05 .047 |
|
KM2 .7815 .5649 .5960 .74 .0289 |
|
NaM2 .7815 .5649 .5960 .17 .0289 |
|
NaM3 .4909 .5140 .3017 .50 .0396 |
|
KM3 .4909 .5140 .3017 .16 .0396 |
|
KM4 .5015 .5015 .5 .47 .0284 |
|
NaM4 .5015 .5015 .5 .34 .0284 |
|
NaM5 .849 .6967 .8973 .21 .041 |
|
KM5 .849 .6967 .8973 .08 .041 |
|
NaM5a .806 .586 .9164 .09 .041 |
|
KM5a .806 .586 .9164 .03 .041 |
|
NaM5b .873 .760 .8870 .11 .041 |
|
KM5b .873 .760 .8870 .04 .041 |
|
NaM5c .829 .650 .903 .08 .041 |
|
KM5c .829 .650 .903 .03 .041 |
|
NaM6 .834 .6655 .2001 .20 .034 |
|
KM6 .834 .6655 .2001 .13 .034 |
|
NaM6a .772 .556 .2169 .09 .034 |
|
KM6a .772 .556 .2169 .06 .034 |
|
NaM6b .873 .726 .1849 .08 .034 |
|
KM6b .873 .726 .1849 .05 .034 |
|
NaM6c .795 .605 .2139 .07 .034 |
|
KM6c .795 .605 .2139 .05 .034 |
|
OS1a .617 .32 .9054 .12 |
|
OS1b .375 .603 .0207 .16 |
|
OS1c .488 .736 .076 .16 |
|
OS2a .401 .786 .7078 .10 |
|
OS2b .730 .470 .225 .07 |
|
OS2c .728 .399 .229 .12 |
|
OS3a .046 .126 .131 .08 |
|
OS3b .113 .078 .184 .18 |
|
OS3c .045 .042 .113 .13 |
|
OS4a 1/3 2/3 .2650 .093 |
|
OS4b .396 .789 .3390 .053 |
|
OS5a 1/3 2/3 .5433 .058 |
|
OS5b .397 .791 .4698 .042 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Megakalsilite |
| |
Khomyakov A P, Nechelyustov G N, Sokolova E V, Bonaccorsi E, Merlino S, Pasero M |
|
The Canadian Mineralogist 40 (2002) 961-970 |
|
Megakalsilite, a new polymorph of KAlSiO4 from the Khibina alkaline massif, |
|
Kola Peninsula, Russia: mineral description and crystal structure |
|
Locality: Khibina alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0005778 |
|
18.1111 18.1111 8.4619 90 90 120 P6_3 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si(1) .8321 .8406 .1939 .0110 .0108 .0099 .0119 .0049 -.0006 .0007 |
|
Si(2) .6655 .6652 .7939 .0106 .0106 .0104 .0109 .0052 -.0007 .0004 |
|
Si(3) .6578 .4940 .1784 .0111 .0110 .0102 .0120 .0052 .0010 -.0004 |
|
Si(4) .5039 .6775 .1778 .0116 .0118 .0103 .0126 .0055 .0001 -.0016 |
|
Al(1) .8303 .8381 .8114 .0108 .0106 .0106 .0112 .0052 .0001 .0017 |
|
Al(2) .6683 .6682 .1834 .0110 .0115 .0108 .0107 .0055 -.0002 .0002 |
|
Al(3) .6554 .4915 .7961 .0109 .0122 .0111 .0105 .0066 .0002 -.0001 |
|
Al(4) .5014 .6761 .7962 .0110 .0102 .0104 .0120 .0050 .0009 .0006 |
|
K(1) 0 0 .4862 .0201 .0206 .0206 .0192 .0103 0 0 |
|
K(2) 2/3 1/3 .5052 .0208 .0204 .0204 .0218 .0102 0 0 |
|
K(3) 1/3 2/3 .5048 .0217 .0209 .0209 .0233 .0105 0 0 |
|
K(4) .4776 .0047 .4916 .0230 .0291 .0213 .0208 .0141 -.0007 .0021 |
|
K(5) .6665 .8126 .4946 .0235 .0238 .0264 .0199 .0123 .0023 .0007 |
|
K(6) .8049 .6675 .4956 .0233 .0229 .0229 .0240 .0113 .0039 .0072 |
|
O(1) .8161 .8533 .0101 .0175 .0188 .0200 .0150 .0106 -.0011 -.0008 |
|
O(2) .6699 .6650 .9824 .0198 .0278 .0201 .0121 .0125 -.0003 -.0015 |
|
O(3) .6272 .4778 .9951 .0155 .0150 .0171 .0143 .0078 -.0003 .0025 |
|
O(4) .5164 .7065 .9940 .0171 .0203 .0159 .0135 .0079 .0003 -.0023 |
|
O(5) .9308 .8671 .2178 .0172 .0130 .0167 .0221 .0074 -.0022 .0040 |
|
O(6) .7365 .4676 .7714 .0163 .0131 .0167 .0204 .0083 .0062 .0036 |
|
O(7) .8009 .3960 .2724 .0151 .0152 .0115 .0193 .0073 .0036 -.0006 |
|
O(8) .9075 .8084 .7999 .0183 .0199 .0231 .0166 .0142 .0053 .0038 |
|
O(9) .5250 .7663 .6852 .0178 .0187 .0188 .0202 .0127 .0072 .0065 |
|
O(10) .4361 .5771 .1895 .0193 .0198 .0116 .0227 .0049 .0052 -.0011 |
|
O(11) .7702 .7420 .2507 .0155 .0148 .0128 .0173 .0059 -.0043 .0002 |
|
O(12) .8981 .5948 .7519 .0160 .0138 .0162 .0137 .0042 .0024 -.0028 |
|
O(13) .9256 .3585 .2558 .0151 .0156 .0228 .0119 .0135 -.0029 -.0028 |
|
O(14) .3587 .9297 .7338 .0161 .0190 .0122 .0188 .0092 .0040 .0026 |
|
O(15) .5944 .9066 .2253 .0155 .0108 .0131 .0175 .0023 .0017 -.0039 |
|
O(16) .7348 .7584 .7258 .0168 .0172 .0150 .0159 .0062 -.0024 -.0005 |
|
|
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|
| |
|
Sturmanite |
|
Pushcharovsky D Y, Lebedeva Y S, Zubkova N V, Pasero M, Bellezza M, |
|
Merlino S, Chukanov N V |
|
The Canadian Mineralogist 42 (2004) 723-729 |
|
The crystal structure of sturmanite |
|
Locality: Black Rock mine, Kuruman District, Kalahari manganese field, North Cape province, South Africa |
|
_database_code_amcsd 0005934 |
|
11.188 11.188 21.91 90 90 120 P31c |
|
atom x y z occ Uiso |
|
Fe1 0 0 .0527 .29 .0162 |
|
Fe2 0 0 .3015 .30 .0174 |
|
Ca1 .0088 .8133 .9276 .0224 |
|
Ca2 .9966 .1941 .1775 .0298 |
|
S1 1/3 2/3 .5454 .24 .0177 |
|
B1 1/3 2/3 .5378 .09 .020 |
|
S2 1/3 2/3 .8032 .0253 |
|
S3 1/3 2/3 .0571 .0341 |
|
B4 1/3 2/3 .3036 .049 |
|
O1 .9911 .1295 .9935 .028 |
|
O2 .0077 .8616 .1070 .024 |
|
O3 -.0028 .1371 .8609 .024 |
|
O4 .0057 .8691 .2456 .041 |
|
O5 .0023 .3355 .0986 .041 |
|
O6 .0157 .6591 .0077 .040 |
|
O7 .9939 .3553 .2560 .075 |
|
O8 .9952 .6660 .8428 .034 |
|
O9 .2655 .4111 .6759 .056 |
|
O10 .7416 .5858 .4296 .036 |
|
O11 .2397 .3986 .1820 .038 |
|
O12 .7393 .5784 .9240 .084 |
|
O13 1/3 2/3 .4816 .24 .135 |
|
O14 1/3 2/3 .7369 .17 .046 |
|
O14' 1/3 2/3 .8694 .17 .046 |
|
O15 1/3 2/3 .1218 .017 |
|
O16 .1995 .6326 .5671 .025 |
|
O17 .1914 .579 .8233 .50 .044 |
|
O17' .1963 .632 .7728 .50 .044 |
|
O18 .1917 .5844 .0421 .169 |
|
O19 .2325 .7100 .2816 .50 .076 |
|
O19' .1861 .572 .3248 .50 .076 |
|
O20 1/3 2/3 .3702 .17 .091 |
|
O20' 1/3 2/3 .2363 .17 .091 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Calcium catapleiite |
|
Merlino S, Pasero M, Bellezza M, Pushcharovsky D Y, Gobetchia E R, |
|
Zubkova N V, Pekov I V |
|
The Canadian Mineralogist 42 (2004) 1037-1045 |
|
The crystal structure of calcium catapleiite |
|
_database_code_amcsd 0005960 |
|
7.378 12.779 10.096 90 90 90 Pbnn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 .5 .5 0 .776 .0157 .0188 .0134 .0147 .0043 -.0046 -.0025 |
|
Ca2 .7485 .75 0 .224 .0145 .0106 .0213 .0116 0 0 .0044 |
|
Zr .7442 .25 0 .0092 .0098 .0113 .0066 0 0 .0001 |
|
Si1 .4545 .3467 .7488 .0119 .0119 .0154 .0087 .0024 .0002 -.0007 |
|
Si2 .25 .5528 .75 .0115 .0150 .0108 .0086 0 -.0018 0 |
|
O1 .4285 .4746 .7374 .0179 .0160 .0147 .0229 .0010 .0021 .0036 |
|
O2 .25 .2949 .75 .0219 .0121 .0181 .0354 0 -.0017 0 |
|
O3 .2803 .6148 .8839 .0228 .0259 .0266 .0159 -.0016 .0039 -.0106 |
|
O4 .5602 .3030 .6250 .0292 .0393 .0317 .0165 -.0107 -.0098 -.0035 |
|
O5 .5434 .3293 .8904 .0234 .0290 .0297 .0115 .0148 .0066 -.0039 |
|
O6 .7630 .5827 .9143 .0382 .0300 .0390 .0455 .0069 -.0090 -.0024 |
|
H1 .885 .555 .892 .09 |
|
H2 .768 .581 .013 .04 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Calciocatapleiite |
|
Merlino S, Pasero M, Bellezza M, Pushcharovsky D Y, Gobetchia E R, |
|
Zubkova N V, Pekov I V |
|
The Canadian Mineralogist 42 (2004) 1037-1045 |
|
The crystal structure of calcium catapleiite |
|
_database_code_amcsd 0005961 |
|
7.378 12.779 10.096 90 90 90 Pbnn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 .5 .5 0 .776 .0157 .0188 .0134 .0147 .0043 -.0046 -.0025 |
|
Ca2 .7485 .75 0 .224 .0145 .0106 .0213 .0116 0 0 .0044 |
|
Zr .7442 .25 0 .0092 .0098 .0113 .0066 0 0 .0001 |
|
Si1 .4545 .3467 .7488 .0119 .0119 .0154 .0087 .0024 .0002 -.0007 |
|
Si2 .25 .5528 .75 .0115 .0150 .0108 .0086 0 -.0018 0 |
|
O1 .4285 .4746 .7374 .0179 .0160 .0147 .0229 .0010 .0021 .0036 |
|
O2 .25 .2949 .75 .0219 .0121 .0181 .0354 0 -.0017 0 |
|
O3 .2803 .6148 .8839 .0228 .0259 .0266 .0159 -.0016 .0039 -.0106 |
|
O4 .5602 .3030 .6250 .0292 .0393 .0317 .0165 -.0107 -.0098 -.0035 |
|
O5 .5434 .3293 .8904 .0234 .0290 .0297 .0115 .0148 .0066 -.0039 |
|
O6 .7630 .5827 .9143 .0382 .0300 .0390 .0455 .0069 -.0090 -.0024 |
|
H1 .885 .555 .892 .09 |
|
H2 .768 .581 .013 .04 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Mosandrite |
| |
Bellezza M, Merlino S, Perchiazzi N |
| |
The Canadian Mineralogist 47 (2009) 897-908 |
|
Mosandrite: Structural and crystal-chemical relationships with rinkite |
|
Locality: nepheline syenite pegmatites on Laven Island, Langesundsfjord, Norway |
|
_database_code_amcsd 0006295 |
|
7.398 5.595 18.662 90 101.37 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
TiM1 0 0 0 .96 .023 .014 .040 .015 -.003 .004 -.018 |
|
NbM1 0 0 0 .04 .023 .014 .040 .015 -.003 .004 -.018 |
|
WatM2 .5 0 0 .70 .027 .024 .044 .013 -.002 .001 -.008 |
|
NaM2 .5 0 0 .14 .027 .024 .044 .013 -.002 .001 -.008 |
|
CaM2 .5 0 0 .16 .027 .024 .044 .013 -.002 .001 -.008 |
|
NaM3 .7507 .5013 .0004 .05 .028 .028 .021 .035 -.001 .007 .005 |
|
CaM3 .7507 .5013 .0004 .23 .028 .028 .021 .035 -.001 .007 .005 |
|
CeM3 .7507 .5013 .0004 .07 .028 .028 .021 .035 -.001 .007 .005 |
|
CaM4 .0944 .6658 .1925 .65 .016 .015 .014 .018 .000 .003 .001 |
|
CeM4 .0944 .6658 .1925 .31 .016 .015 .014 .018 .000 .003 .001 |
|
ZrM4 .0944 .6658 .1925 .04 .016 .015 .014 .018 .000 .003 .001 |
|
CaM5 .5973 .6646 .1918 .83 .016 .015 .016 .019 .000 .004 .002 |
|
CeM5 .5973 .6646 .1918 .17 .016 .015 .016 .019 .000 .004 .002 |
|
Sil .3504 .1605 .1385 .014 .017 .013 .012 -.001 .001 -.002 |
|
Si2 .7837 .1595 .1365 .014 .019 .014 .010 .000 .003 .000 |
|
O1 .2135 .1579 .0611 .032 .032 .041 .017 -.011 -.009 -.002 |
|
O2 .8379 .1504 .0581 .030 .038 .039 .017 .008 .0145 -.004 |
|
O3 .3369 .3991 .1850 .021 .027 .014 .023 -.002 .008 -.005 |
|
O4 .8464 .3984 .1817 .024 .023 .018 .030 .000 .004 -.009 |
|
O5 .3366 .9326 .1903 .022 .027 .019 .021 -.001 .006 .002 |
|
O6 .8521 .9337 .1886 .019 .026 .012 .020 .002 .004 .001 |
|
O7 .5569 .1543 .1189 .040 .015 .065 .043 -.003 .011 -.006 |
|
OHF1 .0311 .6958 .0623 .65 .036 .037 .050 .020 .000 .006 .000 |
|
FF1 .0311 .6958 .0623 .35 .036 .037 .050 .020 .000 .006 .000 |
|
WatF2 .5295 .6659 .0611 .46 .043 .069 .044 .017 -.004 .001 -.006 |
|
OHF2 .5295 .6659 .0611 .44 .043 .069 .044 .017 -.004 .001 -.006 |
|
FF2 .5295 .6659 .0611 .10 .043 .069 .044 .017 -.004 .001 -.006 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Roumaite |
| |
Biagioni C, Bonaccorsi E, Merlino S, Parodi G C, Perchiazzi N, |
|
Chevrier V, Bersani D |
| |
The Canadian Mineralogist 48 (2010) 17-28 |
|
Roumaite, (Ca,Na)3(Ca,REE,Na)4(Nb,Ti)[Si2O7]2(OH)F3, from Rouma Island, |
|
Los Archipelago, Guinea: A new mineral species related to dovyrenite |
|
Locality: Rouma Island, Los Archipelago, Guinea |
|
_database_code_amcsd 0006312 |
|
7.473 11.294 18.778 90 101.60 90 Cc |
|
atom x y z occ Uiso |
|
CaM2 .7429 .8755 .4796 .46 .0189 |
|
NaM2 .7429 .8755 .4796 .30 .0189 |
|
CaM3 .9903 .8751 .9799 .60 .0279 |
|
NaM3 .9903 .8751 .9799 .15 .0279 |
|
NaM4 .9896 .3753 .9803 .60 .0276 |
|
CaM4 .9896 .3753 .9803 .35 .0276 |
|
CeM5 .6436 .7056 .2894 .60 .0084 |
|
NaM5 .6436 .7056 .2894 .40 .0084 |
|
CaM6 .3355 .4524 .1683 .65 .0046 |
|
CeM6 .3355 .4524 .1683 .175 .0046 |
|
NaM6 .3355 .4524 .1683 .175 .0046 |
|
CaM7 .6390 .7938 .7862 .68 .0086 |
|
CeM7 .6390 .7938 .7862 .17 .0086 |
|
NaM7 .6390 .7938 .7862 .17 .0086 |
|
CaM8 .3338 .9550 .1708 .45 .0046 |
|
CeM8 .3338 .9550 .1708 .275 .0046 |
|
NaM8 .3338 .9550 .1708 .275 .0046 |
|
NbM1 .7354 .6274 .9769 .55 .0258 |
|
TiM1 .7354 .6274 .9769 .45 .0258 |
|
Si1 .0832 .6998 .1176 .0168 |
|
Si2 .5215 .7005 .1184 .0075 |
|
Si3 .8807 .9544 .3398 .0095 |
|
Si4 .4477 .9530 .3400 .0147 |
|
O1 .3946 .6559 .7917 .0223 |
|
O2 .3930 .0751 .3004 .0159 |
|
O3 .6765 .9457 .3610 .0189 |
|
O4 .5184 .5526 .9189 .0180 |
|
O5 .0910 .5879 .1700 .0004 |
|
O6 .3849 .8425 .2924 .0200 |
|
O7 .3983 .5767 .3017 .0129 |
|
O8 .2962 .7023 .0966 .0208 |
|
O9 .5932 .8167 .1680 .0022 |
|
O10 .3917 .9498 .4199 .0224 |
|
O11 .0883 .8165 .1659 .0042 |
|
O12 .9555 .6962 .0384 .0068 |
|
O13 .5778 .6972 .0400 .0086 |
|
O14 .5960 .5898 .1718 .0014 |
|
F1 .7657 .4775 .0397 .75 .0176 |
|
OH1 .7657 .4775 .0397 .25 .0176 |
|
F2 .7031 .7061 .4160 .75 .0154 |
|
OH2 .7031 .7061 .4160 .25 .0154 |
|
F3 .7018 .7689 .9140 .75 .0164 |
|
OH3 .7018 .7689 .9140 .25 .0164 |
|
F4 .2697 .4544 .0397 .75 .0148 |
|
OH4 .2697 .4544 .0397 .25 .0148 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Burpalite |
|
Merlino S, Perchiazzi N, Khomyakov A P, Pushcharovsky D Y, Kulikova I M, Kuzmin V I |
| |
European Journal of Mineralogy 2 (1990) 177-185 |
|
Burpalite, a new mineral from Burpalinskii massif, North Transbajkal, USSR: |
|
its crystal structure and OD character |
|
Locality: Burpalinskii massif, North Transbajkal, USSR |
|
_database_code_amcsd 0006380 |
|
10.1173 10.4446 7.2555 90 90.039 90 P2_1/a |
|
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na1 .3769 -.0743 -.1231 1.57 .0161 .0216 .0219 -.0073 -.0002 .0043 |
|
Na2 .3744 -.0708 .3759 1.39 .0171 .0204 .0152 .0003 .0001 -.0032 |
|
Ca .1052 -.1999 .1260 1.29 .0178 .0155 .0156 -.0052 .0006 .0001 |
|
Zr .1070 -.1997 .6247 1.21 .0148 .0170 .0141 .0014 -.0007 -.0002 |
|
Si1 .1671 .1204 -.3479 1.07 .0124 .0106 .0177 .0013 -.0008 .0001 |
|
Si2 .1702 .1215 .0995 1.04 .0093 .0113 .0189 -.0015 -.0002 .0005 |
|
O1 .1681 .1468 -.1206 3.23 .0639 .0498 .0091 .0131 .0038 .0004 |
|
O2 .2658 .2316 .5830 1.90 .0180 .0158 .0385 -.0056 .0086 -.0052 |
|
O3 .2660 .2391 .1652 2.24 .0204 .0242 .0405 -.0035 -.0010 -.0117 |
|
O4 .0189 .1499 .5909 2.25 .0175 .0212 .0469 .0022 .0025 .0009 |
|
O5 .0171 .1469 .1584 2.49 .0132 .0363 .0449 .0055 .0011 -.0032 |
|
O6 .2148 -.0261 .6158 1.43 .0188 .0174 .0183 .0037 .0050 -.0040 |
|
O7 .2243 -.0173 .1381 1.98 .0313 .0090 .0351 .0048 -.0071 .0017 |
|
F1 .4894 .1110 -.1272 2.08 .0304 .0180 .0306 .0038 -.0005 -.0021 |
|
F2 .4837 .1203 .3745 1.72 .0172 .0132 .0351 .0061 .0006 .0003 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Rhonite |
|
Bonaccorsi E, Merlino S, Pasero M |
| |
European Journal of Mineralogy 2 (1990) 203-218 |
|
Rhonite: structural and microstructural features, crystal |
|
chemistry and polysomatic relationships |
|
Locality: volcanic breccias of Scharnhausen |
|
_database_code_amcsd 0006382 |
|
10.428 10.807 8.925 105.91 96.13 124.80 P-1 |
|
atom x y z occ Uiso |
|
MgM1 0 0 .5 .70 .0047 |
|
FeM1 0 0 .5 .30 .0047 |
|
MgM2 0 .5 0 .65 .0038 |
|
FeM2 0 .5 0 .35 .0038 |
|
MgM3 .3136 .8531 .1692 .59 .0083 |
|
FeM3 .3136 .8531 .1692 .41 .0083 |
|
MgM4 .7784 .8302 .1486 .63 .0089 |
|
FeM4 .7784 .8302 .1486 .37 .0089 |
|
MgM5 .0958 .9411 .0543 .74 .0092 |
|
FeM5 .0958 .9411 .0543 .26 .0092 |
|
MgM6 .5971 .9453 .0597 .66 .0072 |
|
FeM6 .5971 .9453 .0597 .34 .0072 |
|
TiM7 .9973 .7436 .2554 .0122 |
|
CaM8 .2060 .6279 .3927 .97 .0104 |
|
NaM8 .2060 .6279 .3927 .03 .0104 |
|
CaM9 .6614 .6082 .3742 .96 .0127 |
|
NaM9 .6614 .6082 .3742 .04 .0127 |
|
SiT1 .4707 .2325 .3348 .50 .0073 |
|
AlT1 .4707 .2325 .3348 .50 .0073 |
|
SiT2 .9744 .2321 .3454 .50 .0054 |
|
AlT2 .9744 .2321 .3454 .50 .0054 |
|
SiT3 .7833 .3431 .2358 .50 .0052 |
|
AlT3 .7833 .3431 .2358 .50 .0052 |
|
SiT4 .2702 .3383 .2258 .50 .0073 |
|
AlT4 .2702 .3383 .2258 .50 .0073 |
|
SiT5 .6446 .9469 .4352 .50 .0008 |
|
AlT5 .6446 .9469 .4352 .50 .0008 |
|
SiT6 .3619 .5662 .0503 .50 .0025 |
|
AlT6 .3619 .5662 .0503 .50 .0025 |
|
O1 .3459 .0573 .1606 .0095 |
|
O2 .8465 .0590 .1683 .0106 |
|
O3 .5492 .9602 .2832 .0138 |
|
O4 .0197 .9333 .2690 .0155 |
|
O5 .2372 .8681 .3882 .0107 |
|
O6 .7522 .8759 .3801 .0158 |
|
O7 .5030 .2006 .5055 .0134 |
|
O8 .9594 .7869 .4852 .0109 |
|
O9 .8878 .3244 .3812 .0092 |
|
O10 .3900 .3347 .3652 .0122 |
|
O11 .6504 .1663 .0580 .0093 |
|
O12 .1482 .1639 .0559 .0093 |
|
O13 .5399 .7199 .0356 .0178 |
|
O14 .0627 .7306 .0642 .0088 |
|
O15 .2444 .6188 .1204 .0115 |
|
O16 .7505 .6103 .1343 .0104 |
|
O17 .4078 .5062 .1945 .0123 |
|
O18 .9424 .5168 .2174 .0136 |
|
O19 .1543 .3719 .3185 .0112 |
|
O20 .6659 .3792 .3361 .0127 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Rhonite |
|
Bonaccorsi E, Merlino S, Pasero M |
| |
European Journal of Mineralogy 2 (1990) 203-218 |
|
Rhonite: structural and microstructural features, crystal |
|
chemistry and polysomatic relationships |
|
Locality: the Allende meteorite |
|
_database_code_amcsd 0006383 |
|
10.367 10.756 8.895 105.98 96.04 124.72 P-1 |
|
atom x y z occ Uiso |
|
MgM1 0 0 .5 .52 .0135 |
|
TiM1 0 0 .5 .48 .0135 |
|
MgM2 0 .5 0 .48 .0105 |
|
TiM2 0 .5 0 .52 .0105 |
|
MgM3 .3100 .8507 .1707 .56 .0115 |
|
TiM3 .3100 .8507 .1707 .44 .0115 |
|
MgM4 .7794 .8286 .1492 .58 .0119 |
|
TiM4 .7794 .8286 .1492 .42 .0119 |
|
MgM5 .0973 .9431 .0537 .90 .0143 |
|
TiM5 .0973 .9431 .0537 .10 .0143 |
|
MgM6 .5968 .9453 .0590 .90 .0066 |
|
TiM6 .5968 .9453 .0590 .10 .0066 |
|
MgM7 .9978 .7462 .2549 .56 .0070 |
|
TiM7 .9978 .7462 .2549 .44 .0070 |
|
CaM8 .2044 .6268 .3942 .0077 |
|
CaM9 .6617 .6065 .3743 .0090 |
|
SiT1 .4706 .2315 .3337 .50 .0087 |
|
AlT1 .4706 .2315 .3337 .50 .0087 |
|
SiT2 .9739 .2293 .3456 .50 .0057 |
|
AlT2 .9739 .2293 .3456 .50 .0057 |
|
SiT3 .7839 .3415 .2339 .50 .0071 |
|
AlT3 .7839 .3415 .2339 .50 .0071 |
|
SiT4 .2702 .3387 .2244 .50 .0061 |
|
AlT4 .2702 .3387 .2244 .50 .0061 |
|
AlT5 .6426 .9468 .4354 .0101 |
|
AlT6 .3634 .5653 .0504 .0102 |
|
O1 .3425 .0530 .1596 .0107 |
|
O2 .8437 .0550 .1693 .0096 |
|
O3 .5479 .9609 .2794 .0150 |
|
O4 .0175 .9376 .2697 .0119 |
|
O5 .2423 .8674 .3867 .0184 |
|
O6 .7581 .8789 .3783 .0141 |
|
O7 .5045 .2023 .5090 .0144 |
|
O8 .9598 .7898 .4857 .0129 |
|
O9 .8854 .3217 .3788 .0092 |
|
O10 .3901 .3342 .3651 .0076 |
|
O11 .6476 .1627 .0545 .0123 |
|
O12 .1489 .1639 .0534 .0074 |
|
O13 .5446 .7214 .0382 .0197 |
|
O14 .0675 .7294 .0605 .0100 |
|
O15 .2414 .6207 .1178 .0124 |
|
O16 .7472 .6154 .1369 .0138 |
|
O17 .4092 .5089 .1983 .0112 |
|
O18 .9440 .5132 .2105 .0153 |
|
O19 .1528 .3684 .3182 .0110 |
|
O20 .6674 .3769 .3347 .0095 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lovdarite |
|
Merlino S |
| |
European Journal of Mineralogy 2 (1990) 809-817 |
|
Lovdarite, K4Na12(Be8Si28O72).18H2O, a zeolite-like mineral: |
|
structural features and OD character |
|
_database_code_amcsd 0006403 |
|
39.576 6.9308 7.1526 90 90 90 Pma2 |
|
atom x y z Biso |
|
K .3860 .0417 .1828 1.98 |
|
Na1 1/4 .6098 .2437 1.95 |
|
Na2 1/4 .6217 .7683 1.97 |
|
Na3 .1283 .8542 .6990 2.18 |
|
Na4 .0069 .2840 .8652 6.10 |
|
Si1 .2113 .0504 .2770 .73 |
|
Si2 .2113 .0497 .7179 .84 |
|
Si3 .1952 .3671 -.0008 .77 |
|
Si4 .1248 .5026 -.0269 .89 |
|
Si5 .0582 .5267 .1399 .92 |
|
Si6 .0333 .2593 .4469 .79 |
|
Si7 .0458 .8202 .4588 .87 |
|
Be1 .1805 .7820 .0050 .47 |
|
Be2 .0670 .5415 .7334 1.0 |
|
O1 1/4 -.0319 .2723 .61 |
|
O2 .2103 .2603 .1857 1.35 |
|
O3 .1858 -.0960 .1901 1.12 |
|
O4 .2023 .0905 .5007 1.33 |
|
O5 1/4 -.0324 .7287 1.20 |
|
O6 .2106 .2624 .8147 1.14 |
|
O7 .1858 -.1014 .8030 1.15 |
|
O8 .2065 .5870 .0011 .77 |
|
O9 .1540 .3356 .0027 1.33 |
|
O10 .1409 .7122 -.0041 1.25 |
|
O11 .0979 .4563 .1463 1.00 |
|
O12 .1057 .4735 .7794 1.34 |
|
O13 .0355 .3608 .2493 1.22 |
|
O14 .0563 .7205 .2606 1.89 |
|
O15 .0448 .5539 -.0671 1.40 |
|
O16 .0514 .0501 .4226 1.13 |
|
O17 .0493 .3782 .6145 1.51 |
|
O18 -.0060 .2198 .5039 1.43 |
|
O19 .0678 -.2501 .6341 .88 |
|
Wat1 .2115 .5643 .5123 2.17 |
|
Wat2 .1438 .6958 .4247 2.38 |
|
Wat3 .1290 .1820 .5459 2.70 |
|
Wat4 .0744 .0616 .8790 3.91 |
|
Wat5 0 0 .0134 8.03 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Quadridavyne |
|
Bonaccorsi E, Merlino S, Orlandi P, Pasero M, Vezzalini G |
| |
European Journal of Mineralogy 6 (1994) 481-487 |
|
Quadridavyne, [(Na,K)6Cl2][Ca2Cl2][Si6Al6O24], a new feldspathoid |
|
mineral from Vesuvius area |
|
Note: Cl1 y-coordinate altered |
|
Locality: Vesuvius, Italy |
|
_database_code_amcsd 0006545 |
|
25.771 25.771 5.371 90 90 120 P6_3/m |
|
atom x y z occ |
|
Naint(ab) .052 .106 1/4 .28 |
|
Kint(ab) .052 .106 1/4 .10 |
|
Namid(ab) .068 .139 1/4 .24 |
|
Kmid(ab) .068 .139 1/4 .12 |
|
Naext(ab) .091 .182 1/4 .20 |
|
Kext(ab) .091 .182 1/4 .06 |
|
Naint(c1) .391 .439 1/4 |
|
Naint(c2) .587 .414 1/4 |
|
Kext(c) .591 .683 1/4 |
|
Si1 .1615 .2049 3/4 |
|
Si2 .2921 .4597 3/4 |
|
Si3 .041 .335 3/4 |
|
Si4 .2082 .5408 1/4 |
|
Al1 .0345 .2082 3/4 |
|
Al2 .299 .333 3/4 |
|
Al3 .168 .464 3/4 |
|
Al4 .209 .6692 1/4 |
|
O1 .105 .215 3/4 |
|
O2 .060 .2844 3/4 |
|
O3 .172 .002 .02 |
|
O5 .294 .399 3/4 |
|
O6 .211 .273 3/4 |
|
O7 .667 -.005 .021 |
|
O8 .669 .506 .508 |
|
O9 .106 .398 3/4 |
|
O10 .223 .445 3/4 |
|
O11 .174 .511 .993 |
|
O13 .220 .608 1/4 |
|
O14 .276 .553 1/4 |
|
Ca1 2/3 1/3 3/4 |
|
Cl1 2/3 1/3 1/4 |
|
Ca2 .334 .169 1/4 |
|
Cl2 .3130 .1561 3/4 |
|
Cl(a) -.018 .024 1/4 1/6 |
|
Cl(b) .029 .047 1/4 1/6 |
|
Cl(c) .529 .547 1/4 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Afghanite |
|
Ballirano P, Bonaccorsi E, Maras A, Merlino S |
| |
European Journal of Mineralogy 9 (1997) 21-30 |
|
Crystal structure of afghanite, the eight-layer member |
|
of the cancrinite-group: evidence for long-range Si,Al ordering |
|
_database_code_amcsd 0006636 |
|
12.8013 12.8013 21.4119 90 90 120 P31c |
|
atom x y z occ Uiso |
|
Si1 .2530 .0000 .4950 .0049 |
|
Al1 .7412 .0000 .9952 .0117 |
|
Si2 .9234 .5849 .3687 .0091 |
|
Al2 .0784 .4032 .8684 .0088 |
|
Si3 .0056 .2570 .2445 .0091 |
|
Al3 .0040 .7424 .7450 .0057 |
|
Si4 .9232 .5851 .1217 .0075 |
|
Al4 .0783 .4035 .6220 .0070 |
|
O1 .342 .333 .6773 .0254 |
|
O2 .669 .680 .1820 .0194 |
|
O3 .348 .345 .8062 .0161 |
|
O4 .663 .668 .3020 .0194 |
|
O5 .122 .887 .7462 .0147 |
|
O6 .336 .335 .4281 .0266 |
|
O7 .674 .677 .9335 .0214 |
|
O8 .3516 .3424 .0554 .0153 |
|
O9 .658 .669 .5508 .0220 |
|
O10 .121 .883 .0028 .0310 |
|
O11 .117 .887 .4947 .0217 |
|
O12 .118 .884 .2491 .0223 |
|
O13 .4580 .5465 .6257 .0293 |
|
O14 .4562 .5482 .8750 .0202 |
|
O15 .2113 .7732 .6264 .0208 |
|
O16 .2128 .7715 .8660 .0188 |
|
Ca1 0 0 0 .0175 |
|
Ca2 0 0 .2500 .0163 |
|
Ca3 1/3 2/3 .6296 .90 .0131 |
|
Ca3a 1/3 2/3 .660 .10 .0131 |
|
Ca4 1/3 2/3 .8791 .90 .0147 |
|
Ca4a 1/3 2/3 .853 .10 .0147 |
|
Cl1 0 0 .1237 .0701 |
|
Cl2 0 0 .3739 .0796 |
|
Cl3 1/3 2/3 .7527 .90 .1157 |
|
F .4018 .5995 .7452 .0334 .0500 |
|
K1 .4432 .2235 .8651 .17 .0387 |
|
Ca1 .4432 .2235 .8651 .06 .0387 |
|
Na1 .4432 .2235 .8651 .27 .0387 |
|
K1a .386 .199 .860 .17 .0387 |
|
Ca1a .386 .199 .860 .06 .0387 |
|
Na1a .386 .199 .860 .27 .0387 |
|
K2 .5054 .5014 .9912 .305 .0377 |
|
Ca2 .5054 .5014 .9912 .145 .0377 |
|
Na2 .5054 .5014 .9912 .55 .0377 |
|
K3 .5211 .4845 .7412 .015 .0399 |
|
Ca3 .5211 .4845 .7412 .008 .0399 |
|
Na3 .5211 .4845 .7412 .97 .0399 |
|
K4 .423 .210 .6238 .0666 .0341 |
|
Ca4 .423 .210 .6238 .0303 .0341 |
|
Na4 .423 .210 .6238 .41 .0341 |
|
K4a .456 .236 .6163 .06 .0341 |
|
Ca4a .456 .236 .6163 .03 .0341 |
|
Na4a .456 .236 .6163 .41 .0341 |
|
S1 1/3 2/3 .2475 .0429 |
|
S2 1/3 2/3 .4625 .0445 |
|
S3 1/3 2/3 .0301 .0532 |
|
OS1a .444 .744 .278 1/3 .0920 |
|
OS1b .400 .619 .208 1/3 .1173 |
|
OS1c .40 .64 .296 1/3 .1387 |
|
OS1d .432 .762 .214 1/3 .1895 |
|
OS2a 1/3 2/3 .5231 .1252 |
|
OS2b .211 .608 .442 .0875 |
|
OS3a .206 .587 .073 1/3 .1621 |
|
OS3b .215 .608 .042 2/3 .1251 |
|
OS3c .265 .635 .970 1/3 .1596 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pb2FeCl3(OH)4.H2O |
| |
Pasero M, Perchiazzi N, Bigi S, Franzini M, Merlino S |
| |
European Journal of Mineralogy 9 (1997) 43-51 |
|
Pb2FeCl3(OH)4.H2O, a newly discovered natural phase from Tuscany, |
|
Italy: physio-chemical data, crystal structure, and OD character |
|
Locality: Tuscany, Italy |
|
_database_code_amcsd 0006643 |
|
8.033 6.253 9.221 90 102.98 90 P2_1 |
|
atom x y z Uiso |
|
Pb1 .8462 .2133 .8084 .0198 |
|
Pb2 .3181 .2555 .8119 .0227 |
|
Fe -.002 .484 .505 .017 |
|
Cl1 .137 .229 .058 .020 |
|
Cl2 .649 .226 .065 .022 |
|
Cl3 .463 .465 .359 .032 |
|
OH1 -.063 .487 .298 .001 |
|
OH2 .056 .442 .732 .024 |
|
OH3 .165 .713 .495 .011 |
|
OH4 .169 .247 .512 .022 |
|
Wat5 .436 .950 .284 .053 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinotobermorite |
|
Merlino S, Bonaccorsi E, Armbruster T |
| |
European Journal of Mineralogy 12 (2000) 411-429 |
|
The real structure of clinotobermorite and tobermorite 9 A: |
|
OD character, polytypes, and structural relationships |
|
Sample: MDO2 data collected at Pisa |
|
_database_code_amcsd 0006830 |
|
11.274 7.344 11.468 99.18 97.19 90.02 C1 |
|
atom x y z Uiso |
|
Ca1 .3640 .1072 .9228 .0023 |
|
Ca1A -.3634 -.1042 -.9134 .0023 |
|
Ca3 .8679 .0998 .8981 .0024 |
|
Ca3A -.8711 -.1001 -.9069 .0024 |
|
Ca2 .3113 -.0177 .4289 .025 |
|
Si1 .8931 .2046 .1839 .0014 |
|
Si1A -.8941 -.2096 -.1841 .0014 |
|
Si2 .9963 -.0362 .3553 .0056 |
|
Si2A -.9950 .0383 -.3608 .0056 |
|
Si3 .8949 -.3726 .1869 .0018 |
|
Si3A -.8946 .3688 -.1859 .0018 |
|
O1 .913 .124 .310 .013 |
|
O1A -.916 -.128 -.309 .013 |
|
O11 .919 -.229 .316 .010 |
|
O11A -.912 .227 -.309 .010 |
|
O2 .771 -.343 .115 .004 |
|
O2A -.767 .349 -.108 .004 |
|
O21 .765 .149 .106 .008 |
|
O21A -.767 -.151 -.111 .008 |
|
O3 .005 -.355 .111 .005 |
|
O3A .003 .357 -.106 .005 |
|
O31 .002 .155 .099 .004 |
|
O31A .005 -.161 -.105 .004 |
|
O4 .891 .431 .237 .009 |
|
O4A -.895 -.432 -.238 .009 |
|
O5 .009 -.002 .497 .014 |
|
Wat5 .514 .009 .511 .023 |
|
O6 .127 -.041 .311 .014 |
|
O6A -.124 .053 -.319 .014 |
|
Wat6 -.335 -.051 -.683 .092 |
|
Wat6A .342 .043 .699 .092 |
|
Wat7 .260 -.238 .537 .054 |
|
Wat8 .260 .257 .535 .057 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinotobermorite |
|
Merlino S, Bonaccorsi E, Armbruster T |
| |
European Journal of Mineralogy 12 (2000) 411-429 |
|
The real structure of clinotobermorite and tobermorite 9 A: |
|
OD character, polytypes, and structural relationships |
|
Sample: MDO2 data collected at Bern |
|
_database_code_amcsd 0006831 |
|
11.273 7.350 11.498 99.17 97.19 89.97 C1 |
|
atom x y z Uiso |
|
Ca1 .3617 .1076 .9233 .0029 |
|
Ca1A -.3643 -.1044 -.9149 .0029 |
|
Ca3 .8709 .0988 .8976 .0025 |
|
Ca3A -.8694 -.1010 -.9056 .0025 |
|
Ca2 .3118 -.0190 .4273 .026 |
|
Si1 .8933 .2067 .1829 .0016 |
|
Si1A -.8926 -.2073 -.1841 .0016 |
|
Si2 .9969 -.0381 .3577 .0066 |
|
Si2A -.9938 .0376 -.3586 .0066 |
|
Si3 .8949 -.3723 .1877 .0051 |
|
Si3A -.8962 .3702 -.1872 .0051 |
|
O1 .913 .125 .311 .009 |
|
O1A -.914 -.122 -.306 .009 |
|
O11 .914 -.221 .314 .012 |
|
O11A -.916 .230 -.312 .012 |
|
O2 .770 -.349 .110 .004 |
|
O2A -.769 .346 -.114 .004 |
|
O21 .764 .153 .110 .007 |
|
O21A -.769 -.148 -.105 .007 |
|
O3 .003 -.351 .113 .005 |
|
O3A .001 .358 -.106 .005 |
|
O31 .002 .154 .099 .005 |
|
O31A .004 -.161 -.104 .005 |
|
O4 .891 .429 .236 .008 |
|
O4A -.895 -.432 -.237 .008 |
|
O5 .009 -.005 .498 .017 |
|
Wat5 .508 .009 .508 .026 |
|
O6 .122 -.041 .310 .010 |
|
O6A -.128 .046 -.320 .010 |
|
Wat6 -.335 -.063 -.691 .072 |
|
Wat6A .335 .041 .695 .072 |
|
Wat7 .258 -.231 .542 .045 |
|
Wat8 .262 .250 .532 .057 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinotobermorite |
|
Merlino S, Bonaccorsi E, Armbruster T |
| |
European Journal of Mineralogy 12 (2000) 411-429 |
|
The real structure of clinotobermorite and tobermorite 9 A: |
|
OD character, polytypes, and structural relationships |
|
Sample: MDO1 data collected at Pisa |
|
_database_code_amcsd 0006832 |
|
11.276 7.343 22.642 90 97.28 90 Cc |
|
atom x y z Uiso |
|
Ca1 .8651 .380 .4620 .0061 |
|
Ca1A .1370 .368 .0427 .0061 |
|
Ca3 .8671 .881 .4482 .0054 |
|
Ca3A .1288 .870 .0469 .0054 |
|
Ca2 .8120 .377 .2147 .028 |
|
Si1 .8908 .841 .5914 .001 |
|
Si1A .1048 .833 .9105 .001 |
|
Si2 .9982 .123 .6779 .010 |
|
Si2A .0067 .129 .8199 .010 |
|
Si3 .8972 .421 .5955 .003 |
|
Si3A .1057 .410 .9055 .003 |
|
O1 .909 .970 .653 .004 |
|
O1A .081 .935 .846 .004 |
|
O11 .925 .311 .661 .010 |
|
O11A .091 .302 .845 .010 |
|
O2 .769 .371 .551 .005 |
|
O2A .230 .376 .938 .005 |
|
O21 .766 .889 .557 .004 |
|
O21A .234 .864 .951 .004 |
|
O3 .006 .382 .558 .009 |
|
O3A .004 .370 .950 .009 |
|
O31 -.001 .866 .548 .001 |
|
O31A -.002 .854 .943 .001 |
|
O4 .893 .631 .618 .013 |
|
O4A .108 .626 .882 .013 |
|
O5 .009 .102 .749 .010 |
|
Wat5 .015 .380 .255 .027 |
|
O6 .130 .143 .655 .015 |
|
O6A .878 .124 .839 .015 |
|
Wat6 .155 .682 .655 .062 |
|
Wat6A .838 .634 .849 .062 |
|
Wat7 .756 .108 .265 .04 |
|
Wat8 .760 .604 .272 .06 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Tobermorite |
|
Merlino S, Bonaccorsi E, Armbruster T |
| |
European Journal of Mineralogy 12 (2000) 411-429 |
|
The real structure of clinotobermorite and tobermorite 9 A: |
|
OD character, polytypes, and structural relationships |
|
Sample: MDO2 |
|
_database_code_amcsd 0006833 |
|
11.156 7.303 9.566 101.08 92.83 89.98 C-1 |
|
atom x y z occ Uiso |
|
Ca1 .3713 .0981 -.1040 .017 |
|
Ca2 .499 .460 .502 .5 .035 |
|
Ca3 .3647 .5966 -.1175 .017 |
|
Si1 .3859 .2158 .2234 .013 |
|
Si2 .3181 -.0193 .4343 .025 |
|
Si3 .3883 .6416 .2173 .015 |
|
O1 .390 .150 .377 .030 |
|
O11 .390 -.209 .371 .024 |
|
O2 .499 .663 .121 .024 |
|
O21 .502 .152 .136 .018 |
|
O3 .268 .649 .118 .013 |
|
O31 .267 .163 .133 .018 |
|
O4 .403 .441 .277 .022 |
|
O6 .179 -.040 .384 .041 |
|
OH6 .152 .488 .390 .050 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tobermorite |
|
Merlino S, Bonaccorsi E, Armbruster T |
| |
European Journal of Mineralogy 13 (2001) 577-590 |
|
The real structure of tobermorite 11A: normal and anomalous forms, |
|
OD character and polytypic modifications |
|
Note: sample MD01 |
|
Locality: Wessels mine, South Africa |
|
_database_code_amcsd 0006884 |
|
11.265 7.386 44.970 90 90 90 F2dd |
|
atom x y z Uiso |
|
Ca1 .0048 .9977 .1034 .0078 |
|
Ca3 .9984 .5009 .1026 .0074 |
|
Si1 .2500 .2900 .0790 .006 |
|
Si2 .1760 -.001 .0356 .008 |
|
Si3 .2518 .7077 .0789 .004 |
|
O1 .136 .263 .1006 .003 |
|
O1b .138 .757 .0975 .007 |
|
O2 .620 .505 .1511 .011 |
|
O2b .620 .003 .1541 .007 |
|
O3 .183 0 0 .017 |
|
O5 .251 .499 .0667 .010 |
|
O6 .248 .179 .0475 .019 |
|
O6b .244 .824 .0476 .011 |
|
O7 .034 .007 .0457 .024 |
|
O7b .996 .508 .0478 .044 |
|
Wat2 .692 0 0 .06 |
|
Wat3 .416 .298 .001 .06 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Tobermorite |
|
Merlino S, Bonaccorsi E, Armbruster T |
| |
European Journal of Mineralogy 13 (2001) 577-590 |
|
The real structure of tobermorite 11A: normal and anomalous forms, |
|
OD character and polytypic modifications |
|
Note: sample MD02 |
|
Locality: Wessels mine, South Africa |
|
_database_code_amcsd 0006885 |
|
6.735 7.385 22.487 90 90 123.25 Bm |
|
atom x y z Uiso |
|
Ca1 .2651 .4328 .20557 .0085 |
|
Ca3 .7499 .9228 .29348 .0074 |
|
Si1 .7581 .3862 .15738 .0054 |
|
Si2 .9087 .7531 .07117 .0086 |
|
Si3 .7592 .9697 .15773 .0056 |
|
O1 .771 .5059 .0942 .014 |
|
O2 .759 .178 .1327 .0127 |
|
O3 .985 .5369 .1982 .0091 |
|
O4 .519 .3063 .1942 .012 |
|
O5 .894 .746 0 .017 |
|
O6 .188 .893 .0940 .018 |
|
Wat6 .270 .434 .0939 .045 |
|
O7 .770 .8601 .0951 .015 |
|
O8 .523 .8110 .1950 .011 |
|
O9 .987 .0459 .1985 .010 |
|
Wat1 .427 .219 0 .14 |
|
Wat2 .879 .237 0 .060 |
|
Wat3 .422 .800 0 .13 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tobermorite |
|
Merlino S, Bonaccorsi E, Armbruster T |
| |
European Journal of Mineralogy 13 (2001) 577-590 |
|
The real structure of tobermorite 11A: normal and anomalous forms, |
|
OD character and polytypic modifications |
|
Note: sample MDO2 - conventional X-ray source |
|
Locality: Bascenov, Urals, Russia |
|
_database_code_amcsd 0006886 |
|
6.732 7.369 22.680 90 90 123.18 Bm |
|
atom x y z occ Uiso |
|
Ca1 .2632 .4310 .2069 .011 |
|
Ca2 .559 .078 .044 .25 .035 |
|
Ca3 .7519 .9228 .2945 .009 |
|
Si1 .757 .3876 .1574 .007 |
|
Si2 .915 .756 .0710 .015 |
|
Si3 .758 .967 .1589 .007 |
|
O1 .754 .499 .0949 .018 |
|
O2 .772 .185 .1328 .014 |
|
O3 .992 .537 .1971 .011 |
|
O4 .523 .312 .1946 .015 |
|
O5 .898 .752 0 .017 |
|
O6 .197 .896 .0949 .018 |
|
Wat6 .237 .416 .097 .09 |
|
O7 .752 .853 .0972 .017 |
|
O8 .524 .807 .1962 .008 |
|
O9 .984 .045 .2002 .011 |
|
Wat1 .42 .26 -.020 .5 .13 |
|
Wat2 .922 .250 0 .07 |
|
Wat3 .40 .76 -.019 .5 .10 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tobermorite |
|
Merlino S, Bonaccorsi E, Armbruster T |
| |
European Journal of Mineralogy 13 (2001) 577-590 |
|
The real structure of tobermorite 11A: normal and anomalous forms, |
|
OD character and polytypic modifications |
|
Note: MDO2 - synchrotron radiation source |
|
Locality: Bascenov, Urals, Russia |
|
_database_code_amcsd 0006887 |
|
6.732 7.369 22.680 90 90 123.18 Bm |
|
atom x y z occ Uiso |
|
Ca1 .277 .4257 .2083 .024 |
|
Ca2 .562 .064 .045 .25 .038 |
|
Ca3 .763 .916 .2951 .027 |
|
Si1 .771 .383 .1578 .031 |
|
Si2 .925 .750 .0721 .030 |
|
Si3 .772 .962 .1596 .027 |
|
O1 .774 .495 .0932 .039 |
|
O2 .762 .169 .1305 .019 |
|
O3 .002 .527 .2000 .032 |
|
O4 .536 .304 .1926 .035 |
|
O5 .910 .747 0 .034 |
|
O6 .202 .887 .0942 .053 |
|
Wat6 .289 .436 .094 .076 |
|
O7 .769 .843 .0953 .027 |
|
O8 .537 .798 .1968 .036 |
|
O9 .004 .043 .2008 .034 |
|
Wat1 .433 .223 -.025 .5 .072 |
|
Wat2 .949 .256 0 .08 |
|
Wat3 .43 .77 -.022 .5 .09 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Moeloite |
| |
Orlandi P, Meerschaut A, Palvadeau P, Merlino S |
| |
European Journal of Mineralogy 14 (2002) 599-606 |
|
Lead-antimony sulfosalts from Tuscany (Italy). V. Definition and crystal |
|
structure of moeloite, Pb6Sb6S14(S3), a new mineral from the Ceragiola |
|
marble quarry |
|
Locality: Tuscany, Italy |
|
_database_code_amcsd 0006941 |
|
15.328 4.0400 23.054 90 90 90 P2_122_1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .0807 0 .1261 .029 .051 .008 .028 -.001 -.003 .005 |
|
Pb2 .1820 -.0012 .2950 .022 .032 .011 .024 .002 .001 .000 |
|
Pb3 .3028 -.0010 .4617 .021 .024 .010 .029 .004 -.004 .001 |
|
Sb1 .1751 .5100 .6037 .063 .018 .131 .039 -.017 .008 -.020 |
|
Sb2 .0645 .5110 .4304 .070 .014 .168 .028 .019 .001 -.042 |
|
Sb3 -.0605 .5400 .2563 .054 .025 .076 .061 .053 .015 .009 |
|
S1 .0907 .4960 .2220 .015 |
|
S2 .2306 -.0280 .6682 .031 |
|
S3 .2065 .5230 .3849 .015 |
|
S4 .3122 .5060 .5528 .015 |
|
S5 -.0456 .4890 .0699 .017 |
|
S6 .1216 .0060 .5066 .030 |
|
S7 .0173 .0090 .3510 .025 |
|
S8 -.1015 -.0340 .1885 .032 |
|
S9 0 .2380 0 .023 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Sphaerobertrandite |
| |
Pekov I V, Chukanov N V, Larsen A O, Merlino S, Pasero M, Pushcharovsky D Y, |
|
Ivaldi G, Zadov A E, Grishin V G, Asheim A, Tafto J, Chistyakova N I |
| |
European Journal of Mineralogy 15 (2003) 157-166 |
|
Sphaerobertrandite, Be3SiO4(OH)2: new data, crystal structure and genesis |
|
_database_code_amcsd 0006960 |
|
5.082 4.640 17.696 90 106.13 90 P2_1/c |
|
atom x y z Uiso |
|
Be1 .290 .416 .1198 .006 |
|
Be2 .629 .089 .9604 .007 |
|
Be3 .110 .917 .2924 .006 |
|
Si .0274 .4195 .3755 .0073 |
|
O1 .023 .574 .1430 .008 |
|
O2 .045 .571 .2933 .008 |
|
O3 .228 .069 .0990 .001 |
|
O4 .697 .974 .0540 .008 |
|
OH5 .307 .575 .0413 .011 |
|
OH6 .557 .465 .1939 .013 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Brochantite |
|
Merlino S, Perchiazzi N, Franco D |
| |
European Journal of Mineralogy 15 (2003) 267-275 |
|
Brochantite, Cu4SO4(OH)6: OD character, polytypism and crystal structures |
|
Sample: MDO_1 polytype |
|
Locality: Val Fucinaia, Tuscany, Italy |
|
_database_code_amcsd 0006971 |
|
13.140 9.863 6.024 90 103.16 90 P2_1/a |
|
atom x y z Uiso |
|
Cu1 .2061 .9911 .4799 .0207 |
|
Cu2 .2023 .9908 -.0237 .0244 |
|
Cu3 .1181 .2614 .1819 .0185 |
|
Cu4 .1199 .2571 .6848 .0197 |
|
S .3877 .1989 .3167 .0233 |
|
OH1 .0936 .1325 .417 .022 |
|
OH2 .0827 .1345 -.082 .022 |
|
OH3 .1590 .3823 .454 .021 |
|
OH4 .1556 .3826 -.052 .020 |
|
OH5 .2559 .0936 .758 .022 |
|
OH6 .1428 .8991 .198 .023 |
|
O7 .2797 .145 .260 .027 |
|
O8 .3822 .351 .312 .028 |
|
O9 .4435 .149 .142 .029 |
|
O10 .4415 .152 .547 .026 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Brochantite |
|
Merlino S, Perchiazzi N, Franco D |
| |
European Journal of Mineralogy 15 (2003) 267-275 |
|
Brochantite, Cu4SO4(OH)6: OD character, polytypism and crystal structures |
|
Sample: MDO_2 polytype |
|
Locality: Capo Calamita, Elba island, Tuscany, Italy |
|
_database_code_amcsd 0006972 |
|
12.776 9.869 6.026 90.15 90 90 P2_1/n |
|
atom x y z Uiso |
|
Cu1 .2066 .9902 .3770 .0118 |
|
Cu2 .2019 .9906 -.1249 .0135 |
|
Cu3 .1183 .2608 .1261 .0111 |
|
Cu4 .1205 .2569 .6258 .0109 |
|
S .3881 .1991 .1226 .015 |
|
OH1 .091 .130 .374 .016 |
|
OH2 .084 .136 -.125 .009 |
|
OH3 .158 .381 .374 .014 |
|
OH4 .158 .385 -.122 .012 |
|
OH5 .258 .094 .628 .023 |
|
OH6 .142 .897 .124 .019 |
|
O7 .275 .141 .126 .023 |
|
O8 .383 .352 .125 .016 |
|
O9 .442 .147 -.084 .023 |
|
O10 .443 .150 .329 .020 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Larisaite |
| |
Chukanov N V, Pushcharovsky D Y, Pasero M, Merlino S, Barinova A V, |
|
Mockel S, Pekov I V, Zadov A E, Dubinchuk V T |
| |
European Journal of Mineralogy 16 (2004) 367-374 |
|
Larisaite, Na(H3O)(UO2)3(SeO3)2O2*4H2O, a new uranyl selenite mineral |
|
from Repete mine, San Juan County, Utah, U.S.A. |
|
Locality: Repete mine, San Juan County, Utah, USA |
|
_database_code_amcsd 0007065 |
|
6.981 7.646 17.249 90 90 90.039 Pm |
|
atom x y z occ Uiso |
|
Na .442 .083 .878 .6 .21 |
|
K .74 -.11 .5 .15 .34 |
|
U1 .9547 .5586 0 .069 |
|
U2 .4549 -.5575 .5 .090 |
|
U3 .4572 .5641 .8934 .073 |
|
U4 .9572 -.5651 .3933 .087 |
|
Se1 .9470 .6047 .7998 .088 |
|
Se2 .4485 -.6078 .2994 .076 |
|
O1 .139 .624 .859 .105 |
|
O2 .639 -.622 .359 .094 |
|
O3 .992 .437 .742 .104 |
|
O4 .489 -.430 .243 .099 |
|
O5 .797 .533 .867 .101 |
|
O6 .296 -.521 .366 .109 |
|
O7 .642 .528 0 .119 |
|
O8 .148 -.515 .5 .115 |
|
O9 .268 .592 0 .098 |
|
O10 .772 -.586 .5 .116 |
|
O11 .980 .322 0 .073 |
|
O12 .480 -.321 .5 .068 |
|
O13 .422 .328 .888 .100 |
|
O14 .930 -.330 .387 .064 |
|
O15 .926 .794 0 .100 |
|
O16 .413 -.792 .5 .120 |
|
O17 .494 .797 .893 .100 |
|
O18 .999 -.799 .389 .119 |
|
Wat1 .795 .100 .812 .26 |
|
H1 .795 .100 .812 .2 .26 |
|
Wat2 .285 -.109 .317 .20 |
|
H2 .285 -.109 .317 .2 .20 |
|
Wat3 .660 .064 0 .10 |
|
H3 .660 .064 0 .2 .10 |
|
Wat4 .178 -.064 .5 .10 |
|
H4 .178 -.064 .5 .2 .10 |
|
Wat5 .168 .044 .816 .28 |
|
H5 .168 .044 .816 .2 .28 |
|
Wat6 .688 -.046 .322 .23 |
|
H6 .688 -.046 .322 .2 .23 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cuspidine |
|
Bellezza M, Merlino S, Perchiazzi N |
| |
European Journal of Mineralogy 16 (2004) 957-969 |
|
Chemical and structural study of the Zr,Ti-disilicates in the venanzite |
|
from Pian di Celle, Umbria, Italy |
|
Locality: Pian di Celle, Umbria, Italy |
|
_database_code_amcsd 0007083 |
|
10.919 10.485 7.485 90 109.55 90 P2_1/a |
|
atom x y z occ Uiso |
|
Ca1 .3125 .0879 .0290 .86 .016 |
|
Zr1 .3125 .0879 .0290 .14 .016 |
|
Ca2 .4198 .3682 .8399 .016 |
|
Ca3 .3061 .0950 .5307 .016 |
|
Ca4 .4235 .3684 .3310 .83 .015 |
|
Na4 .4235 .3684 .3310 .17 .015 |
|
Si1 .6309 .1893 .2260 .014 |
|
Si2 .6226 .1874 .6545 .013 |
|
O1 .6221 .2197 .4376 .038 |
|
O2 .7525 .2781 .2303 .021 |
|
O3 .7421 .2748 .7783 .024 |
|
O4 .6687 .0430 .2104 .028 |
|
O5 .6556 .0403 .7042 .033 |
|
O6 .4906 .2344 .0921 .023 |
|
O7 .4801 .2355 .6412 .021 |
|
F1 .6049 .4962 .9292 .019 |
|
F2 .3955 .4985 .5744 .020 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Gotzenite |
|
Bellezza M, Merlino S, Perchiazzi N |
| |
European Journal of Mineralogy 16 (2004) 957-969 |
|
Chemical and structural study of the Zr,Ti-disilicates in the venanzite |
|
from Pian di Celle, Umbria, Italy |
|
Locality: Pian di Celle, Umbria, Italy |
|
_database_code_amcsd 0007084 |
|
9.636 7.341 5.737 89.94 100.74 101.06 P-1 |
|
atom x y z occ Uiso |
|
Ca1 .6322 .9096 .2218 .86 .013 |
|
Zr1 .6322 .9096 .2218 .14 .013 |
|
Ca2 .6345 .4078 .2194 .011 |
|
Ca3 .9935 .2421 .4960 .68 .018 |
|
Na3 .9935 .2421 .4960 .32 .018 |
|
Ca4 0 .5 0 .58 .025 |
|
Na4 0 .5 0 .42 .025 |
|
Ti5 0 0 0 .98 .018 |
|
Si1 .7179 .6529 .7478 .012 |
|
Si2 .7229 .2132 .7510 .016 |
|
O1 .7592 .4424 .7899 .024 |
|
O2 .6147 .6689 .9339 .017 |
|
O3 .6181 .1407 .9314 .016 |
|
O4 .6467 .6648 .4764 .021 |
|
O5 .6706 .1664 .4755 .027 |
|
O6 .8791 .7806 .8184 .022 |
|
O7 .8848 .1722 .8307 .023 |
|
F1 .8888 .4757 .3059 .019 |
|
F2 .8856 .9688 .2635 .028 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Grenmarite |
| |
Bellezza M, Franzini M, Larsen A O , Merlino S, Perchiazzi N |
| |
European Journal of Mineralogy 16 (2004) 971-978 |
|
Grenmarite, a new member of the gotzenite-seidozerite-rosenbuschite |
|
group from the Langesundsfjord district, Norway: definition and crystal structure |
|
Locality: Langesundsfjord district, Norway |
|
_database_code_amcsd 0007085 |
|
5.608 7.139 18.575 90 102.60 90 P2/c |
|
atom x y z occ Uiso |
|
Zr1 .2004 .1197 .0733 .88 .012 |
|
Mn1 .2004 .1197 .0733 .12 .012 |
|
Zr2 0 .1143 .25 .54 .012 |
|
Ti2 0 .1143 .25 .46 .012 |
|
Mn3 .5 .3533 .25 .76 .016 |
|
Na3 .5 .3533 .25 .24 .016 |
|
Na4 .2051 .6151 .0695 .85 .023 |
|
Mn4 .2051 .6151 .0695 .15 .023 |
|
Na5 0 .6152 .25 .86 .023 |
|
Ca5 0 .6152 .25 .14 .023 |
|
Na6 .5 .8589 .25 .76 .028 |
|
Ca6 .5 .8589 .25 .24 .028 |
|
Si1 .7237 .3884 .1034 .012 |
|
Si2 .7203 .8413 .1041 .012 |
|
O1 .7355 .6144 .1071 .029 |
|
O2 .4473 .3259 .0661 .022 |
|
O3 .4398 .9015 .0755 .020 |
|
O4 .9256 .3239 .0587 .020 |
|
O5 .9035 .9074 .0515 .019 |
|
O6 .7911 .3185 .1891 .019 |
|
O7 .8161 .9100 .1881 .019 |
|
O8 .2439 .1266 .1851 .019 |
|
F .3025 .5879 .1919 .034 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Biraite-(Ce) |
| |
Konev A, Pasero M, Pushcharovsky D, Merlino S, Kashaev A, Suvorova L, |
|
Ushchapovskaya Z, Nartova N, Lebedeva Y, Chukanov N |
| |
European Journal of Mineralogy 17 (2005) 715-721 |
|
Biraite-(Ce), Ce2Fe2+(CO3)(Si2O7), a new mineral from Siberia |
|
with a novel structure type |
|
Locality: Biraia deposit, Irkutsk district, Siberia, Russia |
|
_database_code_amcsd 0007129 |
|
6.505 6.744 18.561 90 108.75 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ce1 .32745 .28119 .23623 .50 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
La1 .32745 .28119 .23623 .28 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
Nd1 .32745 .28119 .23623 .12 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
Pr1 .32745 .28119 .23623 .04 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
Sm1 .32745 .28119 .23623 .01 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
Ca1 .32745 .28119 .23623 .03 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
Na1 .32745 .28119 .23623 .01 .01034 .01036 .00896 .01289 .00082 .00541 .00017 |
|
Ce2 .88569 .86796 .07651 .50 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
La2 .88569 .86796 .07651 .28 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
Nd2 .88569 .86796 .07651 .12 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
Pr2 .88569 .86796 .07651 .04 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
Sm2 .88569 .86796 .07651 .01 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
Ca2 .88569 .86796 .07651 .03 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
Na2 .88569 .86796 .07651 .01 .01232 .01310 .01454 .00968 -.00386 .00415 -.00113 |
|
FeM1 .43356 .5055 .07776 .670 .0193 .0136 .0327 .0117 -.0047 .0041 -.0010 |
|
MnM1 .43356 .5055 .07776 .11 .0193 .0136 .0327 .0117 -.0047 .0041 -.0010 |
|
TiM1 .43356 .5055 .07776 .01 .0193 .0136 .0327 .0117 -.0047 .0041 -.0010 |
|
MgM1 .43356 .5055 .07776 .210 .0193 .0136 .0327 .0117 -.0047 .0041 -.0010 |
|
C .4041 .9858 .0996 .0128 .010 .014 .015 .0024 .0041 .0012 |
|
Si1 .9237 .3573 .0726 .0101 .0113 .0095 .0093 .0004 .0034 .0001 |
|
Si2 .8056 .2869 .2186 .0088 .0075 .0094 .0096 -.0005 .0031 .0001 |
|
O1 .4221 .1286 .0566 .98 .0201 .020 .025 .015 -.0023 .0052 .0041 |
|
F1 .4221 .1286 .0566 .02 .0201 .020 .025 .015 -.0023 .0052 .0041 |
|
O2 .2683 -.0092 .1372 .98 .0151 .0106 .021 .0144 -.0016 .0055 -.0022 |
|
F2 .2683 -.0092 .1372 .02 .0151 .0106 .021 .0144 -.0016 .0055 -.0022 |
|
O3 .5324 .8306 .1091 .98 .0175 .015 .019 .017 .0046 .0041 -.0003 |
|
F3 .5324 .8306 .1091 .02 .0175 .015 .019 .017 .0046 .0041 -.0003 |
|
O4 .9131 .1870 .0112 .98 .0138 .017 .0151 .0097 -.0007 .0048 -.0017 |
|
F4 .9131 .1870 .0112 .02 .0138 .017 .0151 .0097 -.0007 .0048 -.0017 |
|
O5 .1538 .4699 .1064 .98 .0195 .019 .023 .015 -.0089 .0044 -.0027 |
|
F5 .1538 .4699 .1064 .02 .0195 .019 .023 .015 -.0089 .0044 -.0027 |
|
O6 .7266 .5163 .0425 .98 .0155 .016 .015 .016 .0050 .0056 .0030 |
|
F6 .7266 .5163 .0425 .02 .0155 .016 .015 .016 .0050 .0056 .0030 |
|
O7 .8960 .2275 .1464 .98 .0122 .017 .0123 .0103 .0029 .0083 .0017 |
|
F7 .8960 .2275 .1464 .02 .0122 .017 .0123 .0103 .0029 .0083 .0017 |
|
O8 .6591 .1164 .2365 .98 .0119 .0102 .0101 .0164 -.0008 .0057 .0015 |
|
F8 .6591 .1164 .2365 .02 .0119 .0102 .0101 .0164 -.0008 .0057 .0015 |
|
O9 .0266 .3266 .2874 .98 .0135 .0097 .020 .0108 -.0018 .0036 -.0037 |
|
F9 .0266 .3266 .2874 .02 .0135 .0097 .020 .0108 -.0018 .0036 -.0037 |
|
O10 .6369 .4708 .1914 .98 .0132 .016 .0107 .0137 .0038 .0054 .0012 |
|
F10 .6369 .4708 .1914 .02 .0132 .016 .0107 .0137 .0038 .0054 .0012 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Glaukosphaerite |
|
Perchiazzi N, Merlino S |
| |
European Journal of Mineralogy 18 (2006) 787-792 |
|
The malachite-rosasite group: crystal structures of glaukosphaerite and |
|
pokrovskite |
|
_database_code_amcsd 0007184 |
|
12.0613 9.3653 3.1361 90 98.085 90 P2_1/a |
|
atom x y z occ Biso |
|
CuMe1 .2129 .9979 .991 .55 |
|
NiMe2 .3901 .7675 .6112 .5 .55 |
|
CuMe2 .3901 .7675 .6112 .5 .55 |
|
C .1360 -.2716 .5943 1.7 |
|
O1 .1284 -.1357 .5116 .8 |
|
O2 .2324 -.3354 .6193 .8 |
|
O3 .0473 -.3437 .6521 .8 |
|
OH4 .3504 .9024 .038 .8 |
|
OH5 .4216 .6241 .113 .8 |
|
|
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|
| |
|
Pokrovskite |
|
Perchiazzi N, Merlino S |
| |
European Journal of Mineralogy 18 (2006) 787-792 |
|
The malachite-rosasite group: crystal structures of glaukosphaerite and |
|
pokrovskite |
|
_database_code_amcsd 0007185 |
|
12.2396 9.3506 3.1578 90 96.445 90 P2_1/a |
|
atom x y z occ Biso |
|
MgMe1 .2122 .0045 .983 .88 1.0 |
|
MgMe2 .3989 .7710 .574 .88 1.0 |
|
C .1503 -.2637 .5365 5.9 |
|
O1 .1499 -.1279 .4448 3.0 |
|
O2 .2400 -.3377 .5307 3.0 |
|
O3 .0612 -.3249 .6339 3.0 |
|
OH4 .3656 .9162 .062 3.0 |
|
OH5 .4294 .6266 .103 3.0 |
|
|
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|
| |
|
Fluorcalciobritholite |
| |
Pekov I V, Pasero M, Yaskovskaya A N, Chukanov N V, Pushcharovsky D Y, |
|
Merlino S, Zubkova N V, Kononkova N N, Men'shikov Y P, Zadov A E |
| |
European Journal of Mineralogy 19 (2007) 95-103 |
|
Fluorcalciobritholite, (Ca,REE)5[(Si,P)O4]3F, a new mineral: description and |
|
crystal chemistry |
|
Locality: Mount Kukisvumchorr, Khibiny alkaline complex, Kola Peninsula, Russia |
|
_database_code_amcsd 0007198 |
|
9.580 9.580 6.985 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 1/3 2/3 .0006 .654 .0311 .0367 .0367 .0200 .0183 0 0 |
|
Ce1 1/3 2/3 .0006 .161 .0311 .0367 .0367 .0200 .0183 0 0 |
|
La1 1/3 2/3 .0006 .094 .0311 .0367 .0367 .0200 .0183 0 0 |
|
Nd1 1/3 2/3 .0006 .045 .0311 .0367 .0367 .0200 .0183 0 0 |
|
Y1 1/3 2/3 .0006 .031 .0311 .0367 .0367 .0200 .0183 0 0 |
|
Pr1 1/3 2/3 .0006 .014 .0311 .0367 .0367 .0200 .0183 0 0 |
|
Ca2 .2487 .0107 .25 .566 .0330 .0366 .0310 .0258 .0126 0 0 |
|
Ce2 .2487 .0107 .25 .203 .0330 .0366 .0310 .0258 .0126 0 0 |
|
La2 .2487 .0107 .25 .118 .0330 .0366 .0310 .0258 .0126 0 0 |
|
Nd2 .2487 .0107 .25 .057 .0330 .0366 .0310 .0258 .0126 0 0 |
|
Y2 .2487 .0107 .25 .039 .0330 .0366 .0310 .0258 .0126 0 0 |
|
Pr2 .2487 .0107 .25 .017 .0330 .0366 .0310 .0258 .0126 0 0 |
|
Si .3718 .4001 .25 .650 .0261 .028 .031 .022 .017 0 0 |
|
P .3718 .4001 .25 .350 .0261 .028 .031 .022 .017 0 0 |
|
O1 .4677 .5906 .25 .043 .037 .032 .056 .014 0 0 |
|
O2 .4866 .3255 .25 .037 .036 .057 .030 .032 0 0 |
|
O3 .2563 .3432 .4310 .054 .048 .098 .034 .049 .013 .028 |
|
F 0 0 .25 .092 .058 .058 .159 .029 0 0 |
|
|
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|
| |
|
Chukanovite |
| |
Pekov I V, Perchiazzi N, Merlino S, Kalachev V N, Merlini M, Zadov A E |
| |
European Journal of Mineralogy 19 (2007) 891-898 |
|
Chukanovite, Fe2(CO3)(OH)2, a new mineral from the weathered iron meteorite Dronino |
|
Locality: Dronino meteorite, Dronino village, Kasimov district, Ryazan Oblast, Russia |
|
_database_code_amcsd 0007252 |
|
12.396 9.407 3.2152 90 97.78 90 P2_1/a |
|
atom x y z Biso |
|
Fe1 .2114 .0005 .979 1.12 |
|
Fe2 .3983 .7675 .554 1.12 |
|
C .143 -.265 .493 3 |
|
O1 .139 -.135 .368 1.6 |
|
O2 .233 -.332 .546 1.6 |
|
O3 .055 -.328 .556 1.6 |
|
OH4 .379 .900 .058 1.6 |
|
OH5 .427 .619 .132 1.6 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Maucherite |
|
Makovicky E, Merlino S |
| |
European Journal of Mineralogy 21 (2009) 855-862 |
|
OD (order-disorder) character of the crystal structure of maucherite Ni8As11 |
|
Note: maucherite-2M polytype |
|
Locality: modelled structure, not experimental |
|
_database_code_amcsd 0007325 |
|
9.718 9.718 11.177 90 102.55 90 C2/c |
|
atom x y z |
|
Ni1 -.2407 -.4375 -.2128 |
|
Ni2 0 -.1875 -.25 |
|
Ni3 -.1168 -.0370 -.0968 |
|
Ni4 .0259 .1119 -.0920 |
|
Ni5 .1956 -.3400 -.0890 |
|
Ni6 -.0520 -.5930 -.0960 |
|
As1 0 .0625 -.25 |
|
As2 0 -.4375 -.25 |
|
As3 .2500 -.1875 -.25 |
|
As4 -.1875 -.4375 0 |
|
As5 -.0625 -.1875 .5 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Godlevskite |
|
Merlino S, Makovicky E |
| |
European Journal of Mineralogy 21 (2009) 863-869 |
|
OD (order-disorder) character of the crystal structure of godlevskite Ni9S8 |
|
Locality: modelled structure, not experimental |
|
_database_code_amcsd 0007326 |
|
9.38 9.38 22.44 90 90 90 I-42d |
|
atom x y z occ |
|
Ni1 0 -.217 0 |
|
Ni2 0 .5 0 |
|
Ni4 .25 -.2719 .125 .5 |
|
Ni5 .5 .5 .1318 |
|
Ni7 .1263 .1215 .0921 |
|
Ni8 .3743 -.3737 -.0439 |
|
S1 .1338 -.3645 -.0648 |
|
S1A -.1338 -.3645 .0648 |
|
S3 .1179 -.1198 .0648 |
|
S4 .3802 -.3859 .0648 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Brochantite |
|
Mills S J, Kampf A R, Pasero M, Merlino S |
| |
European Journal of Mineralogy 22 (2010) 453-457 |
|
Discreditation of ''orthobrochantite'' (IMA 78-64) as the MDO1 polytype |
|
of brochantite |
|
Note: This is the MDO1 polytype of brochanite, that used to be called orthobrochantite |
|
Locality: Douglas Hill mine, Yerington, Nevada, USA |
|
_database_code_amcsd 0018378 |
|
13.1117 9.8654 6.0307 90 103.255 90 P2_1/a |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 .38150 .74087 .3167 .0077 .0108 .0072 .0054 -.0021 .0027 .0001 |
|
Cu2 .20272 .50997 .4761 .0095 .0117 .0091 .0075 -.0016 .0020 -.0007 |
|
Cu3 .20549 .50995 -.0217 .0082 .0095 .0077 .0077 -.0011 .0026 .0002 |
|
Cu4 .38001 .74252 .8146 .0085 .0123 .0081 .0054 -.0020 .0028 -.0010 |
|
S1 .1128 .8028 .1819 .0150 .0172 .0099 .0181 -.0008 .0046 .0010 |
|
O1 .4152 .8671 .5827 .0097 .012 .012 .006 .000 .004 .001 |
|
O2 .3444 .6181 .5506 .0126 .012 .012 .012 -.006 -.001 -.004 |
|
O3 .1368 .6048 .6938 .0194 .025 .035 .003 -.012 .011 -.005 |
|
O4 .2587 .4011 .2561 .026 .020 .048 .012 -.018 .008 -.005 |
|
O5 .3413 .6170 .0435 .0059 .007 .007 .005 .001 .004 .003 |
|
O6 .4087 .8678 .0800 .0075 .012 .008 .004 -.002 .004 .001 |
|
O7 .2228 .8594 .2394 .030 .020 .054 .016 .016 .002 .005 |
|
O8 .5577 .6496 .3665 .029 .011 .016 .058 .001 .005 .008 |
|
O9 .1185 .6500 .1867 .029 .035 .015 .032 -.010 .001 .001 |
|
O10 .5583 .6507 .9457 .031 .009 .016 .062 .000 -.003 -.006 |
|
|
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|
| |
|
Stronadelphite |
| |
Pekov I V, Britvin S N, Zubkova N V, Pushcharovsky D Y, Pasero M, Merlino S |
| |
European Journal of Mineralogy 22 (2010) 869-874 |
|
Stronadelphite, Sr5(PO4)3F, a new apatite-group mineral |
|
Locality: Belovitovoye pegmatite, Kirovskii apatite mine at Mt. Kukisvumchorr, |
|
in the southern part of the Khibiny alkaline complex, Kola peninsula, Russia |
|
_database_code_amcsd 0017880 |
|
9.845 9.845 7.383 90 90 120 P6_3/m |
|
atom x y z occ Uiso |
|
SrM1 1/3 2/3 -.0004 .9 .0206 |
|
CaM1 1/3 2/3 -.0004 .1 .0206 |
|
SrM2 .2393 -.0147 .25 .0208 |
|
P .4005 .3689 .25 .0165 |
|
O1 .3326 .4826 .25 .018 |
|
O2 .5804 .4640 .25 .028 |
|
O3 .3455 .2637 .0797 .028 |
|
F 0 0 .25 .074 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Sursassite |
|
Mellini M, Merlino S, Pasero M |
| |
Physics and Chemistry of Minerals 10 (1984) 99-105 |
|
X-ray and HRTEM study of sursassite: crystal structure, |
|
stacking disorder, and sursassite-pumpellyite intergrowth |
|
_database_code_amcsd 0007356 |
|
8.70 5.79 9.78 90 108.9 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 .1686 .25 .3143 .024 .010 .011 0 .002 0 |
|
Mn2 .2684 .25 .6754 .034 .004 .006 0 .004 0 |
|
Al1 .5 0 .5 .93 .013 .004 .005 .000 .002 .001 |
|
Mn1 .5 0 .5 .07 .013 .004 .005 .000 .002 .001 |
|
Al2 .5 0 0 .003 .002 .004 -.001 .002 .001 |
|
Al3 0 .5 0 .9 .006 .004 .006 -.001 .001 -.001 |
|
Mn3 0 .5 0 .1 .006 .004 .006 -.001 .001 -.001 |
|
Si1 .3070 .75 .1919 .002 .003 .004 0 .001 0 |
|
Si2 .2066 .75 .8078 .003 .002 .003 0 .001 0 |
|
Si3 .1576 .75 .4941 .010 .004 .004 0 .004 0 |
|
O1 .2664 .5146 .5024 .006 |
|
O2 .1927 .5251 .1640 .005 |
|
O3 .3138 .5164 .8340 .004 |
|
O4 .4154 .75 .0822 .005 |
|
O5 .4498 .75 .3555 .006 |
|
O6 .0842 .25 .9315 .006 |
|
O7 .4392 .25 .3683 .011 |
|
O8 .0712 .75 .8949 .002 |
|
O9 .0902 .75 .6359 .006 |
|
O10 -.0055 .75 .3571 .008 |
|
O11 .4133 .25 .0735 .005 |
|
H1 .0765 .25 -.1370 .5 |
|
H1' .0785 .25 .6434 .5 |
|
H2 .3345 .25 .0863 .5 |
|
H2' .1854 .25 -.0470 .5 |
|
H3 .4423 .25 .2992 .5 |
|
H3' .3401 .25 .1842 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Microsommite |
|
Bonaccorsi E, Comodi P, Merlino S |
| |
Physics and Chemistry of Minerals 22 (1995) 367-374 |
|
Thermal behaviour of davyne-group minerals |
|
Sample: T = 293 K |
|
_database_code_amcsd 0007925 |
|
12.784 12.784 5.346 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Ca 1/3 2/3 .075 .0138 |
|
Cl .3621 .681 .253 1/3 .052 |
|
Na .1517 .3089 .307 .5 .029 |
|
K .2193 .1125 .798 .33 .040 |
|
Na .2193 .1125 .798 .17 .040 |
|
S1 0 0 .300 .44 .033 |
|
OA1 0 0 .587 .22 .08 |
|
OA2 0 0 .013 .22 .08 |
|
OB1 .063 .116 .187 .22 .08 |
|
OB2 .052 .121 .403 .22 .06 |
|
Cl' .097 .090 .08 .04 .08 |
|
Si .3278 .4098 .7825 .0069 |
|
Al .0696 .4099 .7806 .0073 |
|
O1 .2117 .4253 .747 .019 |
|
O2 .1067 .5599 .774 .018 |
|
O3 -.0229 .3178 .536 .018 |
|
O4 .0037 .3326 .053 .012 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Microsommite |
|
Bonaccorsi E, Comodi P, Merlino S |
| |
Physics and Chemistry of Minerals 22 (1995) 367-374 |
|
Thermal behaviour of davyne-group minerals |
|
Sample: T = 943 K |
|
_database_code_amcsd 0007926 |
|
12.871 12.871 5.371 90 90 120 P6_3/m |
|
atom x y z occ Uiso |
|
Ca 1/3 2/3 3/4 .036 |
|
Cl .303 .628 1/4 1/3 .097 |
|
Na .158 .317 1/4 .5 .077 |
|
K .231 .119 3/4 .33 .106 |
|
Na .231 .119 3/4 .17 .106 |
|
S1 0 0 1/4 .44 .091 |
|
OA 0 0 0 .15 .10 |
|
OB .0603 .0985 .1061 .18 .12 |
|
OC .0358 .1224 1/4 .09 .10 |
|
Cl' .0297 -.828 .8818 .02 .08 |
|
Si .3298 .4124 3/4 .016 |
|
Al .0715 .4122 3/4 .017 |
|
O1 .2096 .4219 3/4 .035 |
|
O2 .1085 .5615 3/4 .035 |
|
O3 -.0083 .3312 1.009 .035 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Microsommite |
|
Bonaccorsi E, Merlino S, Pasero M, Macedonio G |
| |
Physics and Chemistry of Minerals 28 (2001) 509-522 |
|
Microsommite: crystal chemistry, phase transitions, |
|
Ising model and Monte Carlo simulations |
|
_database_code_amcsd 0008599 |
|
22.161 22.161 5.358 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
K1 .7777 .3350 .8269 .56 .0476 |
|
Na1 .7777 .3350 .8269 .44 .0476 |
|
K2 .1084 .1100 .329 .56 .032 |
|
Na2 .1536 .1559 .331 .44 .014 |
|
Na1 .8199 .4890 .329 .0391 |
|
Ca -.00090 .33227 .2735 .012 |
|
S1 2/3 1/3 .328 .053 |
|
OA1 .638 .312 .008 .2 .092 |
|
OA1b .640 .366 .55 .133 .092 |
|
OB1 .608 .333 .444 .6 .092 |
|
OB1b .611 .334 .194 .4 .092 |
|
S2 0 0 .324 .5 .024 |
|
OA2 .052 .019 .05 .167 .064 |
|
OB2a .056 .057 .253 .28 .064 |
|
OB2b .064 .038 .523 .22 .064 |
|
Al1 .90969 .15941 .3055 .0052 |
|
Al2 .91586 .42223 .3048 .0069 |
|
Al3 .82743 .58464 .8068 .0074 |
|
Si1 .83011 .25078 .3090 .0085 |
|
Si2 .91379 .49794 .8026 .0054 |
|
Si3 .91813 .75445 .8043 .0048 |
|
Cl1 .0203 .3471 .785 1/3 .040 |
|
Cl2 -.0004 .3423 .770 1/3 .040 |
|
Cl3 .0026 .3191 .772 1/3 .040 |
|
O1 .8790 .5479 .7677 .0112 |
|
O2 .0013 .7873 .774 .016 |
|
O3 .8788 .3319 .2706 .016 |
|
O4 .8887 .6723 .797 .013 |
|
O5 -.0037 .5515 .798 .014 |
|
O6 .8837 .2216 .299 .016 |
|
O7 .7739 .2206 .083 .020 |
|
O8 .8863 .4430 .5762 .017 |
|
O9 .8926 .1128 .582 .010 |
|
O10 .8879 .4551 .062 .012 |
|
O11 .8784 .0975 .067 .013 |
|
O12 .7860 .2318 .562 .015 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Larderellite |
|
Merlino S, Sartori F |
 |
Acta Crystallographica B25 (1969) 2264-2270 |
|
The crystal structure of lardellite, NH4B5O7(OH)2*H2O |
|
Locality: synthetic |
|
_database_code_amcsd 0009364 |
|
9.47 7.63 11.65 90 97.08 90 P2_1/c |
|
atom x y z Biso |
|
NH4 .3219 .4393 .2658 1.93 |
|
B1 .5656 .3091 .0710 1.31 |
|
B2 .7487 .5111 .0448 1.7 |
|
B3 .7000 .4533 .2431 .92 |
|
B4 .6314 .5935 .4192 1.25 |
|
B5 .8246 .3909 .4418 .82 |
|
O1 .4562 .2012 .0219 1.07 |
|
O2 .6369 .4037 -.0036 1.27 |
|
Oh3 .8215 .5942 -.0357 1.26 |
|
O4 .5997 .3232 .1879 1.34 |
|
O5 .7736 .5426 .1583 1.07 |
|
O6 .6205 .5779 .3047 1.01 |
|
O7 .8069 .3614 .3275 1.25 |
|
O8 .7350 .5005 .4926 1.22 |
|
Oh9 .9322 .3067 .5088 1.41 |
|
Ow10 .9552 .1128 .2295 1.9 |
|
H1 .056 .089 .26 5 |
|
H2 .899 .208 .267 5 |
|
H3 .941 .338 .597 5 |
|
H4 .911 .671 -.026 5 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Zeophyllite |
|
Merlino S |
|
Acta Crystallographica B28 (1972) 2726-2732 |
|
The crystal structure of zeophyllite |
|
Locality: Radzein, Bohemia, Czech Republic |
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_database_code_amcsd 0009455 |
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9.36 9.36 36.48 90 90 120 R-3 |
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atom x y z occ Biso |
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Ca1 0 0 0 .2 .71 |
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Al1 0 0 0 .7 .71 |
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Mg1 0 0 0 .1 .71 |
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Ca2 .4323 .1473 .01308 .70 |
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Ca3 .4612 .3560 .09470 .983 .90 |
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Na3 .4612 .3560 .09470 .017 .90 |
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Si1 0 0 .11677 .77 |
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Si2 .0898 .3024 .07305 .72 |
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Si3 1/3 2/3 .06531 .73 |
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O1 0 0 .16057 1.85 |
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O2 .1302 .1855 .09984 1.01 |
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O3 .2589 .4804 .08136 .95 |
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O4 .3790 .0755 .08314 1.31 |
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O5 .0803 .2514 .03042 .85 |
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O6 1/3 2/3 .02123 1.29 |
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F1 .4392 .3899 .03009 1.10 |
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F2 2/3 1/3 .05399 .7 .58 |
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Of2 2/3 1/3 .05399 .3 .58 |
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F3 2/3 1/3 .12641 .5 1.40 |
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OHf3 2/3 1/3 .12641 .5 1.40 |
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Wat7 .4459 .4607 .15377 3.18 |
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Sborgite |
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Merlino S, Sartori F |
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Acta Crystallographica B28 (1972) 3559-3567 |
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The crystal structure of sborgite, NaB5O6(OH)4*3H2O |
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Locality: synthetic |
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_database_code_amcsd 0009465 |
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11.119 16.474 13.576 90 112.83 90 C2/c |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na1 0 .1528 .25 .0044 .0020 .0026 0 .0010 0 |
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Na2 .5 .1228 .25 .0185 .0023 .0034 0 .0056 0 |
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B1 .2500 .4161 .1769 .0042 .0021 .0009 .0001 .0000 .0003 |
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B2 .3212 .3433 .0480 .0037 .0017 .0034 .0003 .0019 -.0001 |
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B3 .1387 .4310 -.0189 .0043 .0020 .0022 .0001 .0008 .0004 |
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B4 .2552 .3863 .3571 .0058 .0017 .0017 -.0002 .0012 -.0002 |
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B5 .3867 .4940 .3358 .0041 .0018 .0016 -.0003 .0005 -.0003 |
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O2 .2264 .3827 -.0384 .0069 .0026 .0017 .0012 .0012 .0003 |
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O4 .3281 .3561 .1487 .0052 .0021 .0019 .0006 .0008 .0002 |
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O5 .1406 .4448 .0798 .0042 .0022 .0015 .0008 .0003 -.0001 |
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O6 .1979 .3784 .2491 .0049 .0020 .0016 -.0008 .0003 -.0005 |
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O7 .3291 .4874 .2278 .0054 .0018 .0013 -.0001 .0002 -.0001 |
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O9 .3612 .4403 .4018 .0043 .0020 .0017 -.0015 .0002 .0000 |
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Oh1 .4038 .2925 .0259 .0073 .0029 .0025 .0014 .0018 .0001 |
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Oh3 .0413 .4635 -.1098 .0079 .0034 .0010 .0022 -.0009 .0002 |
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Oh8 .2189 .3449 .4259 .0073 .0032 .0022 -.0021 .0015 .0001 |
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Oh10 .4750 .5562 .3755 .0059 .0021 .0024 -.0018 .0009 -.0001 |
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Ow11 .0158 .2609 .1386 .0042 .0023 .0031 -.0004 .0013 -.0004 |
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Ow12 .2278 .1422 .3588 .0055 .0020 .0034 -.0004 .0008 -.0004 |
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Ow13 .3998 .2271 .3014 .0064 .0029 .0033 -.0001 .0015 .0004 |
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H1 .477 .267 .089 |
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H3 -.018 .490 -.081 |
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H8 .121 .316 .400 |
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H10 .485 .556 .453 |
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H111 .091 .301 .162 |
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H112 .036 .240 .074 |
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H121 .236 .149 .436 |
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H122 .242 .077 .353 |
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H131 .379 .268 .250 |
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H132 .327 .215 .327 |
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Wenkite |
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Merlino S |
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Acta Crystallographica B30 (1974) 1262-1266 |
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The crystal structure of wenkite |
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Locality: Candoglia, Italy |
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_database_code_amcsd 0009505 |
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13.511 13.511 7.462 90 90 120 P-62m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 0 0 .5 .875 .0042 .0042 .0068 .0021 0 0 |
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K1 0 0 .5 .125 .0042 .0042 .0068 .0021 0 0 |
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Ba2 .3932 0 .5 .875 .0015 .0024 .0136 .00075 0 0 |
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K2 .3932 0 .5 .125 .0015 .0024 .0136 .00075 0 0 |
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Ca1 .4988 .2743 0 .9167 .0025 .0037 .0155 .0010 0 0 |
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Na1 .4988 .2743 0 .0833 .0025 .0037 .0155 .0010 0 0 |
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Si1 .2666 .1336 .2178 .6 .8 |
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Al1 .2666 .1336 .2178 .4 .8 |
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Si2 .4380 .3008 .5 .56 .4 |
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Al2 .4380 .3008 .5 .44 .4 |
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Si3 2/3 1/3 .397 .11 .4 |
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Al3 2/3 1/3 .397 .39 .4 |
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S .5200 .5200 0 1.3 |
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O1 .296 .145 0 .2 |
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O2 .392 .215 .317 1.4 |
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O3 .216 0 .294 .8 |
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O4 .170 .170 .275 1.0 |
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O5 .399 .399 .5 2.2 |
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O6 .580 .378 .5 1.3 |
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O7 2/3 1/3 .170 .5 3.0 |
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OH7 2/3 1/3 .170 .5 3.0 |
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O8 .421 .402 -.049 .25 .9 |
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O9 .492 .606 .074 .25 2.6 |
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O10 .599 .553 -.158 .25 1.6 |
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O11 .591 .499 .154 .25 2.9 |
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Arrojadite-(KFe) |
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Merlino S, Mellini M, Zanazzi P F |
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Acta Crystallographica B37 (1981) 1733-1736 |
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Structure of arrojadite, KNa4CaMn4Fe10Al(PO4)12(OH,F)2 |
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Locality: Nickel Plate mine, Keystone, South Dakota, USA |
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_database_code_amcsd 0009747 |
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16.526 10.057 24.730 90 105.78 90 C2/c |
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atom x y z occ Biso |
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CaX1 .2322 .2223 .4848 .5 1.03 |
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NaX2 .1289 .5150 .1202 2.99 |
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NaX3 0 0 0 1.95 |
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KX4 0 .5043 .25 .75 2.87 |
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NaX4 0 .5043 .25 .25 2.87 |
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NaX5 0 .1460 .25 .86 6.40 |
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LiM1 .2202 .8957 .4738 .06 2.52 |
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MgM1 .2202 .8957 .4738 .25 2.52 |
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FeM1 .2202 .8957 .4738 .69 2.52 |
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FeM2 .2123 .0078 .2674 .88 |
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FeM3 .1066 .0142 .1394 1.14 |
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FeM4 .0222 .2496 .4036 .66 |
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FeM5 .0334 .7434 .4004 .58 |
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MnM6 .2044 .6992 .3517 .73 |
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MnM7 .2193 .2945 .3432 .90 |
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Al 0 .5 0 .38 |
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P1 .1130 .0085 .3662 1.78 |
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P2 .1303 .4670 .4246 .48 |
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P3 .1259 .2518 .0385 .43 |
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P4 .1023 .7673 .0474 .47 |
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P5 .1304 .7241 .2115 .57 |
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P6 .1425 .2972 .2045 .77 |
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O1 .0250 .0614 .3675 1.10 |
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O2 .1120 .8584 .3635 1.10 |
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O3 .1426 .0770 .3220 2.17 |
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O4 .1807 .0462 .4222 3.15 |
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O5 .0501 .4448 .4450 .53 |
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O6 .1213 .5879 .3924 .96 |
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O7 .1301 .3445 .3871 .92 |
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O8 .2103 .4637 .4733 1.44 |
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O9 .0842 .1664 .0751 .89 |
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O10 .0941 .3951 .0360 .71 |
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O11 .1078 .8109 .4794 .96 |
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O12 .2224 .2533 .0623 1.07 |
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O13 .0467 .6428 .0482 .66 |
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O14 .0652 .8719 .0794 .82 |
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O15 .0961 .1861 .4874 1.16 |
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O16 .1939 .7357 .0770 1.17 |
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O17 .0484 .6785 .1703 1.21 |
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O18 .1315 .6781 .2703 1.38 |
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O19 .1395 .8773 .2088 1.70 |
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O20 .2044 .6604 .1938 1.21 |
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O21 .0583 .3402 .1653 1.21 |
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O22 .1516 .3509 .2632 2.39 |
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O23 .1489 .1447 .2052 1.15 |
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O24 .2156 .3541 .1824 1.70 |
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OH25 .2315 .0013 .1383 1.13 |
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|
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Ktenasite |
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Mellini M, Merlino S |
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Zeitschrift fur Kristallographie 147 (1978) 129-140 |
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Ktenasite, another mineral with 2[(Cu,Zn)2(OH)3O]- octahedral sheets |
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Locality: Miniera Trentin, Vicenza, Italy |
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_database_code_amcsd 0010799 |
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5.589 6.166 23.751 90 95.55 90 P2_1/c |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cu1 -.0106 .0995 .2490 .45 .0098 .0096 .0010 .0001 .0007 .0001 |
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Zn1 -.0106 .0995 .2490 .55 .0098 .0096 .0010 .0001 .0007 .0001 |
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Cu2 .4990 -.1508 .2470 .75 .0109 .0114 .0011 -.0006 .0010 .0000 |
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Zn2 .4990 -.1508 .2470 .25 .0109 .0114 .0011 -.0006 .0010 .0000 |
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Zn 0 0 0 .0149 .0141 .0008 -.0002 .0007 .0000 |
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S .3600 .0571 .3738 .0082 .0085 .0004 .0009 .0005 -.0003 |
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O1 .3328 .0946 .3128 .007 .011 .0006 .001 .0006 .0005 |
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Oh2 .6073 .1049 .2096 .008 .011 .0005 .000 .0012 .0000 |
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Oh3 .8396 .3556 .2896 .004 .012 .0006 .000 .0004 .0005 |
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Oh4 .1635 .3440 .2149 .007 .012 .0005 .000 .0007 .0003 |
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O5 .1264 -.0071 .3927 .011 .016 .0010 .000 .0021 .0000 |
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O6 .4409 .2594 .4018 .016 .013 .0014 .002 -.0012 -.0027 |
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O7 .5385 -.1161 .3859 .016 .013 .0008 .009 .0001 .0002 |
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Ow8 .9163 .0626 .0827 .015 .017 .0007 .000 .0004 -.0002 |
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Ow9 .3281 .1617 .0189 .013 .016 .0010 -.005 .0005 -.0006 |
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Ow10 .1436 -.2890 .0290 .018 .014 .0008 .001 .0005 .0004 |
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H2 .593 .083 .175 2.0 |
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H3 .856 .350 .328 2.0 |
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H4 .154 .344 .184 2.0 |
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H81 .989 .031 .103 2.0 |
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H82 .782 .017 .077 2.0 |
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H91 .363 .078 .016 2.0 |
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H92 .362 .250 .046 2.0 |
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H101 .202 -.239 .056 2.0 |
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H102 .042 -.333 .056 2.0 |
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Posnjakite |
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Mellini M, Merlino S |
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Zeitschrift fur Kristallographie 149 (1979) 249-257 |
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Posnjakite: [Cu4(OH)6(H2O)O] octahedral sheets in its structure |
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Locality: Fowey Consols, England |
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_database_code_amcsd 0010806 |
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10.578 6.345 7.863 90 117.98 90 Pa |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cu1 .5621 .5189 .9774 .0007 .0032 .0058 .0000 .0013 .0007 |
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Cu2 .0730 .9856 .0185 .0016 .0046 .0049 .0000 .0008 .0008 |
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Cu3 .8199 .7494 .0027 .0013 .0032 .0056 .0000 .0014 .0006 |
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Cu4 .3193 .7531 -.0012 .0020 .0042 .0049 .0000 .0016 -.0003 |
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S .6333 .7179 .4233 .0033 .0093 .0029 -.0007 .0000 .0000 |
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O1 .361 .544 .847 .9 |
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O2 .862 .998 .885 .7 |
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O3 .280 .953 .149 .8 |
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O4 .034 .721 .121 1.1 |
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OH5 .774 .496 .119 1.3 |
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O6 .609 .776 .879 .7 |
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O7 .561 .753 .209 .9 |
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O8 .045 .700 .707 1.7 |
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O9 .030 .251 .494 3.9 |
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O10 .256 .143 .515 2.6 |
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O11 .184 .509 .458 4.4 |
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H1 .34 .51 .84 2 |
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H2 .35 .02 .79 2 |
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H3 .32 .89 .31 2 |
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H4 .08 .71 .26 2 |
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H6 .58 .77 .81 2 |
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H81 .01 .60 .61 2 |
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H82 .01 .72 .62 2 |
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|
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Sapphirine |
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Merlino S |
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Zeitschrift fur Kristallographie 151 (1980) 91-100 |
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Crystal structure of sapphirine-1Tc |
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Locality: Wilson Lake, Labrador, Canada |
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Note: polytype sapphirine-1Tc |
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_database_code_amcsd 0010820 |
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9.97 10.34 8.62 107.4 95.2 123.8 P-1 |
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atom x y z occ Biso |
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AlMl -.19331 .35014 -.33486 .9 .28 |
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Fe3+Ml -.19331 .35014 -.33486 .1 .28 |
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AlM2 .28520 .33460 -.34992 .9 .41 |
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Fe3+M2 .28520 .33460 -.34992 .1 .41 |
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MgM3 .09720 .44457 -.44134 .7 .51 |
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Fe3+M3 .09720 .44457 -.44134 .25 .51 |
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Fe2+M3 .09720 .44457 -.44134 .05 .51 |
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MgM4 .59581 .44010 -.44468 .85 .34 |
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Fe2+M4 .59581 .44010 -.44468 .15 .34 |
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MgM5 -.29206 .14171 -.12497 .80 .22 |
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Fe2+M5 -.29206 .14171 -.12497 .20 .22 |
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MgM6 .17631 .12642 -.14167 .80 .35 |
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Fe2+M6 .17631 .12642 -.14167 .20 .35 |
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AlM7 .49504 .24213 -.24324 .33 |
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AlM8 .5 .5 0 .25 |
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AlM9 .5 0 .5 .28 |
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AlT1 -.27929 .14245 .25324 .10 |
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SiT2 .23096 .14891 .25521 .75 .15 |
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AlT2 .23096 .14891 .25521 .25 .15 |
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SiT3 .02972 .25277 .15226 .5 .22 |
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AlT3 .02972 .25277 .15226 .5 .22 |
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AlT4 -.46944 .25687 .14106 .75 .16 |
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SiT4 -.46944 .25687 .14106 .25 .16 |
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AlT5 .12785 -.06752 .44287 .21 |
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AlT6 .13158 .44095 -.06630 .75 .28 |
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SiT6 .13158 .44095 -.06630 .25 .28 |
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O1 -.25662 .36907 -.12270 .42 |
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O2 .25648 .37529 -.12070 .42 |
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O3 -.15357 .55747 -.33311 .56 |
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O4 .34145 .55339 -.32942 .37 |
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O5 .03568 .45427 -.22798 .66 |
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O6 .51372 .43765 -.22820 .29 |
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O7 .14863 .66738 -.44563 .62 |
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O8 .65481 .67529 -.43899 .38 |
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O9 .26021 -.12186 .37562 .36 |
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O10 -.25160 -.12368 .36635 .35 |
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O11 .35506 .10470 .18403 .33 |
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O12 -.14705 .09620 .17832 .46 |
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O13 -.05874 -.22951 .45478 .46 |
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O14 -.56642 -.22561 .43846 .33 |
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O15 .07437 -.01327 .28442 .48 |
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O16 -.45313 -.02879 .28135 .39 |
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O17 -.35526 .18028 .09633 .42 |
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O18 .14767 .17971 .10656 .46 |
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O19 -.02686 .28527 -.01583 .49 |
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O20 .45114 .28025 -.02978 .51 |
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|
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Krinovite |
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Bonaccorsi E, Merlino S, Pasero M |
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Zeitschrift fur Kristallographie 187 (1989) 133-138 |
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The crystal structure of the meteoritic mineral krinovite, NaNaMg2CrSi3O10 |
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Locality: Wichita County, USA |
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_database_code_amcsd 0010992 |
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10.238 10.642 8.770 105.15 96.50 125.15 P-1 |
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atom x y z occ Uiso |
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NaM8 .2093 .6300 .3901 .0126 |
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NaM9 .6605 .6116 .3737 .0118 |
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MgM3 .3132 .8508 .1787 .92 .0049 |
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FeM3 .3132 .8508 .1787 .08 .0049 |
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MgM4 .7716 .8201 .1500 .94 .0067 |
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FeM4 .7716 .8201 .1500 .06 .0067 |
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MgM5 .0933 .9381 .0600 .96 .0049 |
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FeM5 .0933 .9381 .0600 .04 .0049 |
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MgM6 .5957 .9410 .0615 .98 .0039 |
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FeM6 .5957 .9410 .0615 .02 .0039 |
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CrM1 0 0 .5 .0063 |
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CrM2 0 .5 0 .0071 |
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CrM7 .9943 .7380 .2629 .0052 |
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SiT1 .4759 .2339 .3334 .0030 |
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SiT2 .9820 .2297 .3399 .0021 |
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SiT3 .7877 .3370 .2369 .0028 |
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SiT4 .2770 .3393 .2236 .0047 |
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SiT5 .6475 .9479 .4408 .0040 |
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SiT6 .3555 .5609 .0453 .0038 |
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O1 .3542 .0661 .1665 .0062 |
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O2 .8541 .0633 .1693 .0023 |
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O3 .5555 .9570 .2892 .0040 |
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O4 .0180 .9331 .2751 .0042 |
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O5 .2411 .8752 .3942 .0051 |
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O6 .7576 .8868 .3875 .0032 |
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O7 .4957 .1983 .4997 .0054 |
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O8 .9582 .7855 .4917 .0036 |
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O9 .8928 .3179 .3729 .0055 |
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O10 .4042 .3385 .3553 .0080 |
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O11 .6572 .1691 .0665 .0059 |
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O12 .1544 .1664 .0614 .0044 |
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O13 .5297 .7132 .0338 .0036 |
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O14 .0590 .7238 .0671 .0031 |
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O15 .2436 .6122 .1103 .0040 |
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O16 .7501 .6058 .1319 .0040 |
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O17 .4012 .5035 .1899 .0054 |
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O18 .9364 .5062 .2147 .0056 |
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O19 .1623 .3663 .3180 .0059 |
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O20 .6708 .3640 .3339 .0060 |
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|
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Lintisite |
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Merlino S, Pasero M |
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Zeitschrift fur Kristallographie 193 (1990) 137-148 |
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The crystal structure of lintisite, Na3LiTi2[Si2O6]2O2*2H2O, a new |
|
titanosilicate from Lovozero (USSR) |
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Locality: Lovozero, Kola Peninsula, Russia |
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_database_code_amcsd 0010998 |
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28.583 8.600 5.219 90 91.03 90 C2/c |
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atom x y z Uiso |
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Na1 .16517 .1872 .1161 .0155 |
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Na2 0 .3483 .75 .0244 |
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Li 0 .0111 .25 .0162 |
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Ti .16503 .4050 .6243 .0051 |
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Si1 .26370 .4076 .2903 .0059 |
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Si2 .09250 .0986 .5396 .0070 |
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O1 .21562 .0124 .4464 .0079 |
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O2 .21392 .2613 .7423 .0088 |
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O3 .12500 .2511 .4917 .0091 |
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O4 .03770 .1261 .5189 .0105 |
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O5 .13637 .4304 .9273 .0075 |
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O6 .11023 .0265 .8184 .0092 |
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O7 .20683 .4164 .2883 .0069 |
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O8 .04486 .3969 .1178 .0268 |
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H1 .0449 .334 .201 .045 |
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H2 .0736 .415 .101 .066 |
|
|
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| |
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Rhodesite |
|
Hesse K F, Liebau F, Merlino S |
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Zeitschrift fur Kristallographie 199 (1992) 25-48 |
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Crystal structure of rhodesite, HK1-xNax+2yCa2-y{lB,3,2}[Si8O19]*(6-z)H2O, |
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from three localities and its relation to other silicates with dreier double layers |
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Locality: Zeilberg, Germany |
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_database_code_amcsd 0011013 |
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23.416 6.555 7.050 90 90 90 Pmam |
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atom x y z occ Uiso |
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K .25 .4449 0 .249 .032 |
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Ca1 0 .5 0 .253 .014 |
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Ca2 0 .5 .5 .251 .011 |
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Si1 .1168 .2895 .2196 .008 |
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Si2 .1838 .5410 .5 .5 .006 |
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Si3 .1023 .9309 .5 .5 .007 |
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O1 .0590 .4074 .2476 .016 |
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O2 .1717 .4089 .3130 .016 |
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O3 .1167 .0627 .3131 .024 |
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O4 .1351 .2550 0 .5 .010 |
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O5 .1458 .7427 .5 .5 .021 |
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O6 .0378 .8527 .5 .5 .029 |
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O7 .25 .6076 .5 .25 .014 |
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Wat8 .0381 .8379 0 .546 .092 |
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Wat9 .3308 .7780 0 .451 .075 |
|
Wat10 .25 .0211 .1901 .236 .080 |
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|
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|
| |
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