|
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 |
|
O11 .05260 .24840 .15760 .00118 .02047 .00307 -.00143 .00084 .00161 |
|
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 |
|
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 |
|
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 |
|
O1 .0969 .9179 .0505 .00054 .00760 .00150 .00011 .00018 -.00071 |
|
O2 .0070 .2297 .1003 .00034 .02060 .00290 -.00002 .00044 -.00047 |
|
O3 .4194 .9354 .0466 .00074 .00650 .00180 -.00016 .00064 -.00119 |
|
O4 .4191 .3459 .1948 .00046 .00950 .00160 .00043 .00032 .00037 |
|
O5 .4197 .9016 .3514 .00068 .00862 .00237 -.00009 .00059 .00028 |
|
O6 .0161 .2409 .4152 .00049 .02180 .00255 .00036 .00011 .00087 |
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O7 .4027 .4228 .4342 .00054 .00835 .00248 -.00002 .00052 -.00115 |
|
O8 .3710 .8528 .5362 .00063 .00995 .00232 .00097 .00067 .00088 |
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O9 .2200 .4482 .3948 .00040 .01000 .00234 -.00070 .00025 -.00032 |
|
O10 .1702 -.0351 .3520 .00139 .00801 .00201 .00106 .00060 .00079 |
|
O11 .1231 .3853 .2155 .00048 .00870 .00147 -.00022 .00002 .00046 |
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O12 .2063 .1633 .0816 .00053 .02120 .00386 -.00063 .00030 .00199 |
|
O13 .3024 .1469 .0489 .00070 .01972 .00387 -.00087 .00089 -.00313 |
|
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 |
|
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 |
|
As .1677 .1706 .1638 .10 0.0018 0.0021 0.0004 0.0002 0.0001 0.0001 |
|
S .5 .5 0 .84 0.0044 0.0035 0.0014 0.0031 0 0 |
|
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 |
|
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 |
|
Pb2 .3679 .4114 .4243 0.82 |
|
Pb3 -.1111 .2772 .25 1.89 |
|
Fe1 0 0 .4302 0.24 |
|
Si1 .2750 0 0 .5 0.97 |
|
Fe2 .2750 0 0 .5 0.97 |
|
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 |
|
O3 2/3 1/3 .543 0.30 |
|
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 |
|
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 |
|
P2 .33440 .99720 .08030 .5 |
|
P3 .42435 .46788 .13165 |
|
P4 .03946 .25200 .12680 |
|
P5 .04849 .76821 .10200 |
|
P6 .21262 .72485 .12932 |
|
P7 .20536 .30030 .14028 |
|
O1 .3677 .0625 .0258 |
|
O2 .3633 -.1412 .1122 |
|
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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View JMOL 3-D Structure
|
| |
|
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 |
|
|
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|
| |
|
Lizardite |
|
Mellini M |
|
American Mineralogist 67 (1982) 587-598 |
|
The crystal structure of lizardite 1T: hydrogen bonds and polytypism |
|
_database_code_amcsd 0000867 |
|
5.332 5.332 7.233 90 90 120 P31m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si 1/3 2/3 .0766 0.0050 0.0050 0.0116 0 0 0.0025 |
|
Mg .3327 0 .4596 0.0032 0.0032 0.0122 0 0.0007 0.0016 |
|
O1 1/3 2/3 .3000 0.0096 0.0096 0.0068 0 0 0.0048 |
|
O2 .5087 0 -.0036 0.0130 0.0130 0.0136 0 0.0048 0.0065 |
|
Oh3 .6654 0 .5935 0.0095 0.0095 0.0091 0 -.0003 0.0048 |
|
Oh4 0 0 .3088 0.0058 0.0058 0.0161 0 0 0.0029 |
|
H3 .6550 0 .709 .026 |
|
H4 0 0 .199 .001 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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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|
| |
|
Orientite |
|
Mellini M, Merlino S, Pasero M |
|
American Mineralogist 71 (1986) 176-187 |
|
X-ray and HRTEM structure analysis of orientite |
|
_database_code_amcsd 0001007 |
|
9.044 6.091 19.031 90 90 90 P2mm |
|
atom x y z occ Biso |
|
Ca1 .2876 .5 .1608 .39 |
|
Ca2 .8136 0 .1569 .75 |
|
Ca3 .7093 .5 .6571 1.38 |
|
Ca4 .1836 0 .6578 .36 |
|
Mn1 .2560 .2511 .0018 .19 |
|
Mn2 .5507 .2488 .25 .84 .06 |
|
Mn3 .7511 .2591 -.0028 .47 |
|
Si1 -.0256 .5 .0934 1.12 |
|
Si2 .4763 0 .1006 .06 |
|
Si3 -.1026 .5 .25 .84 .06 |
|
Si4 .1949 0 .25 .84 .37 |
|
Si5 .0454 .5 .5963 .06 |
|
Si6 .5258 0 .5971 .25 |
|
Si7 .1197 .5 .75 .42 |
|
Si8 .6029 0 .75 .68 4.38 |
|
Mn2A .0691 .2295 .25 .16 1.41 |
|
Si3A .3929 0 .25 .16 .06 |
|
Si4A .6936 .5 .25 .16 .06 |
|
Mn2B .4615 .2534 .75 .32 .49 |
|
Si4B .7956 0 .75 .32 1.00 |
|
O1 .3788 .2143 .0791 .62 |
|
O2 .8691 .2886 .0781 .30 |
|
O3 .1394 .5 .0616 1.25 |
|
O4 .6301 0 .0579 .06 |
|
O5 .2932 .2383 .25 1.64 |
|
O6 .7910 .2840 .25 .74 |
|
O7 .5599 0 .1779 .36 |
|
O8 .0110 .5 .1810 1.02 |
|
OH9 .0694 0 .1799 1.62 |
|
OH10 .1301 0 .0247 .56 |
|
O11 .6409 .5 .0292 .06 |
|
OH12 .5284 .5 .1806 2.14 |
|
O13 .6270 .2137 .5877 .19 |
|
O14 .1289 .2615 .5807 1.07 |
|
O15 -.1165 .5 .5604 1.08 |
|
O16 .3778 0 .5515 .42 |
|
O17 .1954 .2537 .75 .93 |
|
O18 .4813 0 .6834 .06 |
|
O19 .0060 .5 .6768 .40 |
|
OH20 .8617 0 .5410 .06 |
|
OH21 .3773 .5 .5268 1.10 |
|
O22 .7054 .2104 .75 .05 |
|
OH23 -.0782 0 .6799 2.01 |
|
OH24 .4300 .5 .6771 .72 |
|
|
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|
| |
|
Lizardite |
|
Mellini M, Zanazzi P F |
|
American Mineralogist 72 (1987) 943-948 |
|
Crystal structures of lizardite-1T and lizardite-2H1 from Coli, Italy |
|
Sample: Lizardite-2H1 |
|
Note: U(1,2) for Si/O2/O3 altered to match symmetry constraints |
|
_database_code_amcsd 0001113 |
|
5.318 5.318 14.541 90 90 120 P6_3cm |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si 1/3 2/3 .036 .0053 .0053 .0072 .00265 0 0 |
|
Mg .3324 0 .2266 .0058 .0056 .0121 .0028 .0004 0 |
|
O1 1/3 2/3 .1462 .0062 .0062 .0083 .0031 0 0 |
|
O2 .4838 0 -.0047 .0090 .0075 .0137 .00375 .0039 0 |
|
O3 .6657 0 .2934 .0091 .0077 .0111 .00385 .0017 0 |
|
O4 0 0 .1502 .0084 .0084 .0088 .0042 0 0 |
|
H3 .620 0 .365 .048 |
|
H4 0 0 .081 .030 |
|
|
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View JMOL 3-D Structure
|
| |
|
Lizardite |
|
Mellini M, Zanazzi P F |
|
American Mineralogist 72 (1987) 943-948 |
|
Crystal structures of lizardite-1T and lizardite-2H1 from Coli, Italy |
|
Sample: Lizardite-1T |
|
Note: U(1,2) for Mg/O3 altered to match symmetry constraints. |
|
Note: Thermal ellipsoid for O1 is non-positive definite |
|
_database_code_amcsd 0001114 |
|
5.325 5.325 7.259 90 90 120 P31m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si 1/3 2/3 .0748 .0006 .0006 .0234 .0003 0 0 |
|
Mg .3322 0 .4557 .0028 .0031 .0242 .00155 .0026 0 |
|
O1 1/3 2/3 .292 -.0060 -.0060 .0405 -.0030 0 0 |
|
O2 .5045 0 -.0082 .0147 .0076 .0147 .0038 -.0045 0 |
|
O3 .6655 0 .5899 .0109 .0127 .0257 .00635 .0028 0 |
|
O4 0 0 .3080 .0084 .0084 .0108 .0042 0 0 |
|
H3 .580 0 .738 .022 |
|
H4 0 0 .200 .023 |
|
|
| Download AMC data (View Text File)
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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 |
|
22.121 22.121 5.221 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Si1 .8334 .2506 .2864 .0069 |
|
Si2 .9141 .4983 .7875 .0082 |
|
Si3 .9159 .7503 .7865 .0082 |
|
Al1 .9144 .1650 .2858 .0072 |
|
Al2 .9183 .4205 .2876 .0082 |
|
Al3 .8298 .5828 .7891 .0100 |
|
O1 .8673 .5334 .7190 .014 |
|
O2 .9988 .7978 .7183 .013 |
|
O3 .8694 .3332 .2188 .014 |
|
O4 .8947 .6691 .7654 .021 |
|
O5 .9956 .5592 .7669 .025 |
|
O6 .8939 .2302 .2570 .019 |
|
O7 .7703 .2090 .0842 .019 |
|
O8 .8944 .4344 .5875 .013 |
|
O9 .8977 .1256 .5829 .012 |
|
O10 .8945 .4639 .0721 .017 |
|
O11 .8686 .0978 .0701 .018 |
|
O12 .7995 .2373 .5719 .019 |
|
Na .3342 .3334 .6619 .037 |
|
Wat1 .3091 .3072 .2324 .333 .073 |
|
Wat2 .3618 .3290 .2285 .333 .035 |
|
Wat3 .3373 .3509 .2238 .333 .091 |
|
K1 .7790 .4461 .3241 .667 .032 |
|
Na1 .7790 .4461 .3241 .333 .032 |
|
Na1 .6660 .4844 .8171 .022 |
|
S1 2/3 1/3 .8207 .038 |
|
OA1 .7041 .3444 .5860 .333 .20 |
|
OB1 .7241 .3319 .9715 .095 |
|
K2 .9997 .1119 .8286 .667 .0285 |
|
Na2 .9997 .1119 .8286 .333 .0285 |
|
Na2 .8495 -.0001 .3219 .0164 |
|
S2 0 0 .3375 .5 .036 |
|
OA2 .0269 .0387 .5661 .167 .13 |
|
OB2 .0584 .0569 .1804 .5 .104 |
|
|
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|
| |
|
Lizardite |
|
Mellini M, Viti C |
|
American Mineralogist 79 (1994) 1194-1198 |
|
Crystal structure of lizardite-1T from Elba, Italy |
|
Sample: MFN3-1 |
|
Note: U(1,2) for Mg and O2 have been changed to match symmetry constraints. |
|
_database_code_amcsd 0001690 |
|
5.330 5.330 7.269 90 90 120 P31m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si 1/3 2/3 .0704 .0118 .0118 .0153 .0059 0 0 |
|
Mg .3324 0 .4516 .0127 .0125 .0201 .00625 -.0005 0 |
|
O1 1/3 2/3 .2920 .0134 .0134 .0134 .0067 0 0 |
|
O2 .5067 0 -.0111 .0218 .0155 .0175 .00775 .0004 0 |
|
O3 .6658 0 .5862 .0145 .0152 .0162 .0076 -.0003 0 |
|
O4 0 0 .2990 .0146 .0146 .0159 .0073 0 0 |
|
H1 .660 0 .710 .05 |
|
H2 0 0 .200 .05 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lizardite |
|
Mellini M, Viti C |
|
American Mineralogist 79 (1994) 1194-1198 |
|
Crystal structure of lizardite-1T from Elba, Italy |
|
Sample: MFN3-6 |
|
Note: U(1,2) for Si, O2 and O4 have been changed to match symmetry constraints. |
|
_database_code_amcsd 0001691 |
|
5.338 5.338 7.257 90 90 120 P31m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si 1/3 2/3 .0699 .0101 .0101 .0071 .00505 0 0 |
|
Mg .3326 0 .4513 .0099 .0096 .0110 .0048 .0000 0 |
|
O1 1/3 2/3 .2920 .0116 .0116 .0044 .0058 0 0 |
|
O2 .5071 0 -.0099 .0239 .0167 .0093 .00835 .0009 0 |
|
O3 .6662 0 .5869 .0128 .0120 .0073 .0060 .0002 0 |
|
O4 0 0 .2990 .0132 .0132 .0057 .0066 0 0 |
|
H1 .660 0 .710 .05 |
|
H2 0 0 .200 .05 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lizardite-1T |
| |
Gregorkiewitz M, Lebech B, Mellini M, Viti C |
|
American Mineralogist 81 (1996) 1111-1116 |
|
Hydrogen positions and thermal expansion in lizardite-1T from Elba: A |
|
low-temperature study using Rietveld refinement of neutron diffraction data |
|
T = 8 K |
|
_database_code_amcsd 0001834 |
|
5.3267 5.3267 7.2539 90 90 120 P31m |
|
atom x y z Uiso |
|
Si 1/3 2/3 .070 .020 |
|
Mg .324 0 .447 .020 |
|
H3 .646 0 .715 .078 |
|
H4 .046 .046 .172 .078 |
|
O1 1/3 2/3 .292 .002 |
|
O2 .507 0 -.014 .088 |
|
O3 .665 0 .587 .002 |
|
O4 0 0 .291 .002 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Antigorite |
|
Capitani G, Mellini M |
|
American Mineralogist 89 (2004) 147-158 |
|
The modulated crystal structure of antigorite: The m = 17 polysome |
|
_database_code_amcsd 0003192 |
|
43.505 9.251 7.263 90 91.32 90 Pm |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiT1 .0216 .1663 .5046 .009 .007 .004 .017 .000 .005 -.001 |
|
SiT2 .0817 .3342 .4677 .009 .005 .004 .018 -.002 .003 -.002 |
|
SiT3 .1412 .1654 .4398 .007 .008 .005 .008 .001 .001 .001 |
|
SiT4 .2007 .3341 .4294 .006 .007 .006 .006 .002 .003 .001 |
|
SiT5 .2610 .1664 .4272 .006 .006 .010 .002 .001 .001 -.001 |
|
SiT6 .3214 .3340 .4311 .005 .006 .006 .004 -.001 -.002 .000 |
|
SiT7 .3819 .1661 .4446 .005 .008 .002 .006 .001 -.002 .001 |
|
SiT8 .4418 .3336 .4691 .008 .009 .007 .008 .001 -.002 .002 |
|
SiT9 .5010 .1654 .5050 .005 .003 .005 .007 .001 .000 .001 |
|
SiT10 .5575 .1646 -.2312 .007 .002 .008 .010 .003 -.001 .003 |
|
SiT11 .6169 .3339 -.1915 .006 .002 .004 .012 .002 -.001 -.001 |
|
SiT12 .6764 .1663 -.1725 .005 .002 .007 .008 .002 .003 .002 |
|
SiT13 .7367 .3326 -.1613 .006 .003 .003 .011 -.001 .001 .004 |
|
SiT14 .7970 .1655 -.1591 .004 .003 .002 .009 .002 -.001 .000 |
|
SiT15 .8574 .3332 -.1652 .007 .002 .005 .013 -.004 -.001 -.004 |
|
SiT16 .9173 .1656 -.1848 .007 .003 .008 .009 -.001 .004 .000 |
|
SiT17 .9766 .3353 -.2226 .012 .010 .008 .018 -.003 .007 -.001 |
|
MgM1A .0301 0 .1254 .015 .010 .009 .026 0 .001 0 |
|
MgM1B .0302 .3336 .1245 .015 .009 .009 .028 -.001 -.001 .002 |
|
MgM2A .0931 .5 .0850 .017 .010 .011 .029 0 .004 0 |
|
MgM2B .0930 .1657 .0829 .015 .011 .008 .025 .000 .005 .002 |
|
MgM3A .1556 0 .0608 .017 .012 .010 .030 0 .004 0 |
|
MgM3B .1554 .3336 .0594 .012 .008 .008 .018 .000 .002 -.001 |
|
MgM4A .2179 .5 .0488 .012 .009 .008 .019 0 .002 0 |
|
MgM4B .2177 .1667 .0494 .016 .010 .008 .030 .000 .005 -.002 |
|
MgM5A .2798 0 .0483 .007 .014 .005 .003 0 .000 0 |
|
MgM5B .2795 .3335 .0482 .013 .014 .014 .012 -.002 .003 .002 |
|
MgM6A .3420 .5 .0554 .011 .018 .009 .007 0 .000 0 |
|
MgM6B .3419 .1667 .0552 .008 .015 .006 .003 .003 .001 .000 |
|
MgM7A .4044 0 .0727 .011 .016 .007 .010 0 .005 0 |
|
MgM7B .4042 .3334 .0716 .011 .014 .008 .011 .000 .004 .003 |
|
MgM8A .4672 .5 .1009 .012 .012 .010 .012 0 .005 0 |
|
MgM8B .4670 .1660 .0998 .012 .017 .006 .013 .002 .007 .001 |
|
MgM9A .5298 0 .1379 .012 .013 .009 .015 0 .002 0 |
|
MgM9B .5299 .3334 .1380 .013 .008 .013 .019 .002 .001 .001 |
|
MgM10A .5921 .5 .1756 .013 .005 .007 .026 0 -.004 0 |
|
MgM10B .5924 .1661 .1750 .014 .005 .010 .026 .002 -.003 -.001 |
|
MgM11A .6542 0 .2035 .011 .000 .012 .021 0 .000 0 |
|
MgM11B .6541 .3336 .2046 .012 .003 .013 .020 -.003 -.001 -.001 |
|
MgM12A .7165 .5 .2174 .016 .006 .014 .028 0 .000 0 |
|
MgM12B .7164 .1661 .2175 .014 .001 .009 .031 .001 -.001 -.004 |
|
MgM13A .7787 0 .2254 .016 .008 .012 .027 0 -.002 0 |
|
MgM13B .7786 .3332 .2229 .008 .004 .007 .013 -.002 -.003 .001 |
|
MgM14A .8414 .5 .2221 .011 .013 .010 .011 0 -.003 0 |
|
MgM14B .8414 .1661 .2196 .010 .011 .008 .010 .001 -.003 .002 |
|
MgM15A .9040 0 .2100 .008 .008 .005 .010 0 -.006 0 |
|
MgM15B .9040 .3338 .2049 .015 .010 .009 .026 .001 -.004 -.001 |
|
MgM16A .9669 .5 .1727 .014 .010 .007 .025 0 -.007 0 |
|
MgM16B .9671 .1669 .1721 .015 .010 .012 .024 .000 -.005 .002 |
|
OA1 .0121 .1677 .2808 .012 .017 .014 .005 .000 .001 .005 |
|
OA2 .0757 .3328 .2463 .015 .029 .009 .009 -.003 .009 -.001 |
|
OA3 .1376 .1665 .2218 .010 .020 .001 .010 .001 .007 -.001 |
|
OA4 .1991 .3344 .2140 .014 .015 .001 .025 .001 .009 .000 |
|
OA5 .2606 .1660 .2065 .012 .032 .004 .000 .005 .000 .000 |
|
OA6 .3223 .3332 .2175 .012 .025 .008 .003 .003 .005 .007 |
|
OA7 .3835 .1664 .2241 .015 .025 .010 .010 .004 .006 .004 |
|
OA8 .4452 .3329 .2503 .018 .018 .015 .021 -.006 .005 -.001 |
|
OA9 .5078 .1680 .2847 .015 .010 .021 .015 .001 .006 .003 |
|
OA10 .5520 .1664 -.0053 .017 .020 .007 .025 .004 -.002 .000 |
|
OA11 .6146 .3338 .0285 .011 .008 .012 .011 .000 -.007 -.005 |
|
OA12 .6759 .1670 .0546 .014 .001 .013 .029 .004 -.005 -.002 |
|
OA13 .7374 .3326 .0696 .015 .000 .020 .027 -.004 -.002 .009 |
|
OA14 .7988 .1667 .0677 .017 .000 .023 .028 .000 -.001 .001 |
|
OA15 .8602 .3330 .0623 .016 .013 .023 .012 .005 -.007 .000 |
|
OA16 .9221 .1652 .0344 .024 .001 .023 .047 .000 -.010 -.003 |
|
OA17 .9847 .3322 -.0042 .025 .005 .016 .055 -.004 -.003 .000 |
|
OB1A .0230 0 .5783 .037 .051 .022 .036 0 -.007 0 |
|
OB1B .0569 .2453 .5890 .032 .012 .029 .056 -.011 .025 -.006 |
|
OB2A .0810 .5 .5473 .013 .018 .014 .008 0 .003 0 |
|
OB2B .1138 .2598 .5281 .028 .020 .045 .020 -.003 .002 .010 |
|
OB3A .1393 0 .5201 .006 .002 .004 .011 0 -.003 0 |
|
OB3B .1721 .2409 .5157 .023 .037 .013 .020 -.002 .010 .006 |
|
OB4A .1993 .5 .5093 .012 .014 .008 .012 0 -.010 0 |
|
OB4B .2315 .2624 .5105 .019 .023 .022 .012 .000 .002 -.006 |
|
OB5A .2587 0 .5068 .010 .027 .004 .000 0 .004 0 |
|
OB5B .2922 .2381 .5141 .015 .020 .022 .004 -.006 .004 .004 |
|
OB6A .3197 .5 .5137 .006 .012 .000 .005 0 -.006 0 |
|
OB6B .3527 .2614 .5243 .012 .009 .022 .003 -.003 .001 -.003 |
|
OB7A .3791 0 .5262 .006 .017 .000 .000 0 .001 0 |
|
OB7B .4130 .2330 .5383 .009 .010 .009 .008 -.007 .003 -.002 |
|
OB8A .4369 .5 .5452 .012 .025 .008 .003 0 -.003 0 |
|
OB8B .4721 .2664 .5673 .028 .021 .017 .045 -.001 -.013 -.021 |
|
OB9A .4936 0 .5732 .018 .013 .015 .025 0 .005 0 |
|
OB9B .5290 .2237 -.3540 .023 .018 .015 .036 .004 -.013 -.007 |
|
OB10A .5666 0 -.3060 .021 .060 .000 .000 0 -.021 0 |
|
OB10B .5865 .2647 -.2931 .019 .015 .032 .011 .008 -.001 -.015 |
|
OB11A .6190 .5 -.2700 .154 .020 .220 .220 0 -.005 0 |
|
OB11B .6465 .2470 -.2606 .019 .020 .011 .025 -.011 -.010 .004 |
|
OB12A .6767 0 -.2430 .145 .036 .260 .139 0 -.007 0 |
|
OB12B .7053 .2533 -.2457 .020 .017 .017 .025 -.001 -.002 -.004 |
|
OB13A .7369 .5 -.2420 .080 .050 .073 .118 0 .003 0 |
|
OB13B .7654 .2440 -.2397 .018 .013 .016 .026 -.017 -.005 .010 |
|
OB14A .7978 0 -.2460 .094 .041 .097 .143 0 .010 0 |
|
OB14B .8251 .2586 -.2432 .015 .004 .028 .012 -.010 -.004 .006 |
|
OB15A .8598 .5 -.2480 .091 .134 .046 .093 0 .055 0 |
|
OB15B .8848 .2375 -.2524 .018 .009 .027 .017 .013 -.009 -.010 |
|
OB16A .9155 0 -.2760 .089 .094 .090 .080 0 -.025 0 |
|
OB16B .9431 .2620 -.2807 .026 .044 .025 .010 -.028 -.008 .016 |
|
OB17A .9716 .5 -.3330 .230 .230 .021 .450 0 .250 0 |
|
OB17B 0 .2343 .6760 .073 .054 .020 .149 .010 .066 -.018 |
|
OHV0 .0117 .5 .2784 .021 .015 .000 .048 0 -.001 0 |
|
OHV1 .0746 0 .2411 .011 .017 .004 .010 0 -.002 0 |
|
OHV2 .1364 .5 .2171 .013 .037 .001 .001 0 .002 0 |
|
OHV3 .1987 0 .2063 .014 .026 .004 .011 0 .008 0 |
|
OHV4 .2608 .5 .1996 .014 .031 .005 .006 0 -.006 0 |
|
OHV5 .3218 0 .2080 .012 .025 .007 .005 0 .006 0 |
|
OHV6 .3832 .5 .2199 .013 .023 .010 .006 0 -.004 0 |
|
OHV7 .4447 0 .2452 .017 .012 .012 .027 0 .003 0 |
|
OHV8 .5070 .5 .2766 .019 .013 .022 .023 0 -.002 0 |
|
OHV9 .5518 .5 -.0039 .013 .022 .007 .010 0 .006 0 |
|
OHV10 .6143 0 .0298 .012 .009 .014 .012 0 .004 0 |
|
OHV11 .6759 .5 .0529 .016 .001 .011 .035 0 .002 0 |
|
OHV12 .7374 0 .0676 .016 .000 .019 .029 0 -.004 0 |
|
OHV13 .7992 .5 .0665 .017 .000 .025 .026 0 .008 0 |
|
OHV14 .8602 0 .0595 .025 .002 .030 .042 0 -.006 0 |
|
OHV15 .9216 .5 .0346 .024 .005 .017 .049 0 .007 0 |
|
OHV16 .9846 0 .0022 .027 .021 .032 .029 0 .002 0 |
|
OW1A .0479 .5 -.0299 .025 .026 .025 .025 0 .001 0 |
|
OW1B .0483 .1670 -.0349 .025 .017 .025 .032 -.003 .008 .003 |
|
OW2A .1121 0 -.0599 .018 .011 .018 .025 0 .001 0 |
|
OW2B .1126 .3320 -.0582 .016 .013 .021 .015 .005 .005 .001 |
|
OW3A .1752 .5 -.0805 .016 .032 .009 .008 0 .008 0 |
|
OW3B .1750 .1671 -.0829 .012 .023 .008 .005 .000 .009 .004 |
|
OW4A .2384 0 -.0894 .013 .024 .007 .007 0 .003 0 |
|
OW4B .2384 .3332 -.0886 .013 .031 .006 .003 .002 .001 .002 |
|
OW5A .3006 .5 -.0855 .014 .031 .012 .000 0 -.001 0 |
|
OW5B .3010 .1661 -.0850 .015 .036 .009 .000 .002 .005 .006 |
|
OW6A .3638 0 -.0750 .011 .015 .009 .010 0 .005 0 |
|
OW6B .3639 .3339 -.0754 .013 .027 .009 .002 -.002 .003 -.001 |
|
OW7A .4270 .5 -.0486 .015 .015 .008 .021 0 -.002 0 |
|
OW7B .4271 .1664 -.0531 .015 .019 .004 .023 .003 .007 .007 |
|
OW8A .4897 0 -.0239 .011 .010 .006 .015 0 -.003 0 |
|
OW8B .4898 .3321 -.0247 .013 .013 .004 .021 .004 0 -.002 |
|
OW9A .5695 0 .2924 .023 .015 .025 .030 0 .010 0 |
|
OW9B .5698 .3324 .2937 .020 .018 .029 .014 .002 .005 .000 |
|
OW10A .6323 .5 .3277 .018 .023 .021 .010 0 .005 0 |
|
OW10B .6329 .1679 .3267 .013 .010 .021 .009 .003 -.002 .006 |
|
OW11A .6955 0 .3440 .019 .007 .016 .034 0 -.001 0 |
|
OW11B .6960 .3330 .3454 .022 .008 .022 .036 -.002 -.001 -.002 |
|
OW12A .7587 .5 .3526 .020 .000 .022 .037 0 .000 0 |
|
OW12B .7584 .1688 .3534 .017 .000 .022 .030 .003 -.001 .006 |
|
OW13A .8215 0 .3526 .020 .010 .018 .032 0 -.007 0 |
|
OW13B .8213 .3330 .3501 .021 .004 .026 .035 .003 .000 .002 |
|
OW14A .8844 .5 .3418 .018 .013 .014 .027 0 -.004 0 |
|
OW14B .8845 .1669 .3413 .020 .011 .019 .029 -.003 -.014 -.004 |
|
OW15A .9491 0 .3195 .018 .009 .013 .030 0 -.009 0 |
|
OW15B .9492 .3331 .3156 .016 .014 .002 .032 .002 -.005 -.001 |
|
HI0 .0117 .5 .4170 .200 |
|
HI1 .0746 0 .3790 .200 |
|
HI2 .1364 .5 .3560 .200 |
|
HI3 .1987 0 .3440 .200 |
|
HI4 .2608 .5 .3360 .200 |
|
HI5 .3218 0 .3440 .200 |
|
HI6 .3832 .5 .3570 .200 |
|
HI7 .4447 0 .3850 .200 |
|
HI8 .5070 .5 .4140 .200 |
|
HI9 .5518 .5 -.1430 .200 |
|
HI10 .6143 0 -.1090 .200 |
|
HI11 .6759 .5 -.0860 .200 |
|
HI12 .7374 0 -.0700 .200 |
|
HI13 .7992 .5 -.0710 .200 |
|
HI14 .8602 0 -.0790 .200 |
|
HI15 .9216 .5 -.1040 .200 |
|
HI16 .9846 0 -.1360 .200 |
|
H1A .0479 .5 -.1680 .082 |
|
H1B .0483 .1670 -.1720 .082 |
|
H2A .1121 0 -.1980 .082 |
|
H2B .1126 .3320 -.1970 .082 |
|
H3A .1752 .5 -.2180 .082 |
|
H3B .1750 .1671 -.2220 .082 |
|
H4A .2384 0 -.2240 .082 |
|
H4B .2384 .3332 -.2210 .082 |
|
H5A .3006 .5 -.2220 .082 |
|
H5B .3010 .1661 -.2200 .082 |
|
H6A .3638 0 -.2120 .082 |
|
H6B .3639 .3339 -.2130 .082 |
|
H7A .4270 .5 -.1870 .082 |
|
H7B .4271 .1664 -.1930 .082 |
|
H8A .4897 0 -.1610 .082 |
|
H8B .4898 .3321 -.1610 .082 |
|
H9A .5695 0 .4300 .082 |
|
H9B .5698 .3324 .4330 .082 |
|
H10A .6323 .5 .4640 .082 |
|
H10B .6329 .1679 .4660 .082 |
|
H11A .6955 0 .4800 .082 |
|
H11B .6960 .3330 .4820 .082 |
|
H12A .7587 .5 .4880 .082 |
|
H12B .7584 .1688 .4880 .082 |
|
H13A .8215 0 .4880 .082 |
|
H13B .8213 .3330 .4850 .082 |
|
H14A .8844 .5 .4800 .082 |
|
H14B .8845 .1669 .4830 .082 |
|
H15A .9491 0 .4590 .082 |
|
H15B .9492 .3331 .4530 .082 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Antigorite |
|
Capitani G C, Mellini M |
|
American Mineralogist 91 (2006) 394-399 |
|
The crystal structure of a second antigorite polysome (m = 16), |
|
by single-crystal synchrotron diffraction |
|
_database_code_amcsd 0004123 |
|
81.664 9.255 7.261 90 91.409 90 C2/m |
|
atom x y z Uiso |
|
Mg1A 0 0 .5 .019 |
|
Mg1B 0 .6649 .5 .020 |
|
Mg2A .9668 .5 .4629 .019 |
|
Mg2B .9665 .8337 .4598 .020 |
|
Mg3A .9332 0 .4301 .019 |
|
Mg3B .9334 .6648 .4308 .020 |
|
Mg4A .9003 .5 .4165 .018 |
|
Mg4B .9001 .8316 .4160 .018 |
|
Mg5A .8669 0 .4116 .020 |
|
Mg5B .8671 .6658 .4113 .017 |
|
Mg6A .8338 .5 .4126 .023 |
|
Mg6B .8337 .8337 .4181 .018 |
|
Mg7A .8005 0 .4301 .018 |
|
Mg7B .8003 .6662 .4396 .023 |
|
Mg8A .7669 .5 .4812 .021 |
|
Mg8B .7668 .8346 .4727 .021 |
|
Si1 .9849 .8335 .8676 .021 |
|
Si2 .9534 .6664 .8275 .021 |
|
Si3 .9216 .8336 .8059 .020 |
|
Si4 .8895 .6664 .7958 .021 |
|
Si5 .8574 .8336 .7942 .021 |
|
Si6 .8254 .6664 .8015 .022 |
|
Si7 .7938 .8336 .8237 .024 |
|
Si8 .7619 .6665 .8626 .025 |
|
OA1 .9881 .8303 .6491 .026 |
|
OA2 .9550 .6637 .6071 .018 |
|
OA3 .9217 .8321 .5841 .021 |
|
OA4 .8893 .6686 .5712 .026 |
|
OA5 .8569 .8392 .5733 .022 |
|
OA6 .8238 .6713 .5799 .022 |
|
OA7 .7909 .8345 .6026 .021 |
|
OA8 .7575 .6681 .6474 .027 |
|
OB1A .9807 0 .9391 .035 |
|
OB2A .9511 .5 .9048 .028 |
|
OB3A .9207 0 .8852 .032 |
|
OB4A .8887 .5 .8720 .030 |
|
OB5A .8564 0 .8736 .032 |
|
OB6A .8246 .5 .8819 .033 |
|
OB7A .7934 0 .9053 .034 |
|
OB8A .7631 .5 .9484 .061 |
|
OB0B 0 .7778 0 .027 |
|
OB1B .9697 .7333 .9266 .025 |
|
OB2B .9379 .7590 .8992 .021 |
|
OB3B .9060 .7438 .8815 .023 |
|
OB4B .8741 .7570 .8730 .024 |
|
OB5B .8423 .7412 .8769 .024 |
|
OB6B .8107 .7602 .8909 .030 |
|
OB7B .7798 .7416 .9235 .043 |
|
OB8B .7500 .7500 0 .063 |
|
OV1 .9882 .5 .6385 .019 |
|
OV2 .9538 0 .6049 .031 |
|
OV3 .9228 .5 .5787 .022 |
|
OV4 .8894 0 .5689 .018 |
|
OV5 .8559 .5 .5611 .020 |
|
OV6 .8239 0 .5777 .024 |
|
OV7 .7910 .5 .6051 .034 |
|
OV8 .7570 0 .6248 .019 |
|
OW1A .9785 0 .3453 .033 |
|
OW1B .9788 .6700 .3412 .018 |
|
OW2A .9461 .5 .3092 .034 |
|
OW2B .9447 .8360 .3059 .019 |
|
OW3A .9109 0 .2888 .015 |
|
OW3B .9118 .6707 .2841 .028 |
|
OW4A .8781 .5 .2740 .025 |
|
OW4B .8780 .8305 .2807 .023 |
|
OW5A .8449 0 .2820 .026 |
|
OW5B .8442 .6674 .2794 .023 |
|
OW6A .8104 .5 .2952 .022 |
|
OW6B .8107 .8318 .2966 .025 |
|
OW7A .7765 0 .3198 .028 |
|
OW7B .7765 .6697 .3307 .024 |
|
HI1 .9882 .5 .7720 .023 |
|
HI2 .9538 0 .7370 .023 |
|
HI3 .9228 .5 .7040 .023 |
|
HI4 .8894 0 .7000 .023 |
|
HI5 .8559 .5 .6920 .023 |
|
HI6 .8239 0 .7030 .023 |
|
HI7 .7910 .5 .7340 .023 |
|
HI8 .7570 0 .7560 .023 |
|
HH1A .9785 0 .2040 .047 |
|
HH1B .9788 .6700 .1910 .047 |
|
HH2A .9461 .5 .1810 .047 |
|
HH2B .9447 .8360 .1680 .047 |
|
HH3A .9109 0 .1490 .047 |
|
HH3B .9118 .6707 .1410 .047 |
|
HH4A .8781 .5 .1350 .047 |
|
HH4B .8780 .8305 .1470 .047 |
|
HH5A .8449 0 .1380 .047 |
|
HH5B .8442 .6674 .1410 .047 |
|
HH6A .8104 .5 .1520 .047 |
|
HH6B .8107 .8318 .1640 .047 |
|
HH7A .7765 0 .1570 .047 |
|
HH7B .7765 .6697 .1920 .047 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lizardite |
|
Mellini M, Zanazzi P F |
| |
European Journal of Mineralogy 1 (1989) 13-19 |
|
Effects of pressure on the structure of lizardite-1T |
|
Sample: at P = 7 kbar |
|
Locality: Coli, Italy |
|
_database_code_amcsd 0006338 |
|
5.313 5.313 7.227 90 90 120 P31m |
|
atom x y z occ Uiso |
|
Mg .334 0 .443 .94 .015 |
|
Fe .334 0 .443 .02 .015 |
|
Al .334 0 .443 .03 .015 |
|
Si 1/3 2/3 .067 .97 .004 |
|
Al 1/3 2/3 .067 .03 .004 |
|
O1 1/3 2/3 .291 .001 |
|
O2 0 .505 -.016 .020 |
|
O3 0 .666 .585 .010 |
|
O4 0 0 .272 .028 |
|
H3 .58 0 .69 .04 |
|
H4 0 0 .12 .04 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Lizardite |
|
Mellini M, Zanazzi P F |
| |
European Journal of Mineralogy 1 (1989) 13-19 |
|
Effects of pressure on the structure of lizardite-1T |
|
Sample: at P = 12.5 kbar |
|
Locality: Val Sissone |
|
_database_code_amcsd 0006339 |
|
5.316 5.316 7.150 90 90 120 P31m |
|
atom x y z occ Uiso |
|
Mg .337 0 .457 .93 .032 |
|
Fe .337 0 .457 .05 .032 |
|
Al .337 0 .457 .02 .032 |
|
Si 1/3 2/3 .067 .92 .008 |
|
Al 1/3 2/3 .067 .08 .008 |
|
O1 1/3 2/3 .291 .001 |
|
O2 0 .513 -.017 .006 |
|
O3 0 .668 .587 .033 |
|
O4 0 0 .270 .003 |
|
H3 .64 0 .71 .04 |
|
H4 0 0 .11 .04 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Tremolite |
|
Comodi P, Mellini M, Ungaretti L, Zanazzi P F |
| |
European Journal of Mineralogy 3 (1991) 485-499 |
|
Compressibility and high pressure structure refinement |
|
of tremolite, pargasite and glaucophane |
|
Sample: pressure at ambient conditions (.001 kbar) |
|
_database_code_amcsd 0006413 |
|
9.840 18.042 5.276 90 104.76 90 C2/m |
|
atom x y z occ Uiso |
|
MgM1 0 .0877 1/2 .99 .0059 |
|
FeM1 0 .0877 1/2 .01 .0059 |
|
MgM2 0 .1764 0 .99 .0082 |
|
FeM2 0 .1764 0 .01 .0082 |
|
MgM3 0 0 0 .99 .0055 |
|
FeM3 0 0 0 .01 .0055 |
|
CaM4 0 .2779 1/2 .5 .0079 |
|
CaM42 .0409 .2778 .5648 .25 .0100 |
|
SiT1 .2802 .0840 .2968 .0041 |
|
SiT2 .2883 .1712 .8049 .0043 |
|
O1 .1118 .0860 .2180 .0058 |
|
O2 .1189 .1711 .7249 .0059 |
|
O3 .1086 0 .7161 .0077 |
|
O4 .3651 .2480 .7919 .0077 |
|
O5 .3463 .1347 .1005 .0077 |
|
O6 .3439 .1185 .5894 .0071 |
|
O7 .3372 0 .2918 .0082 |
|
H .181 0 .740 .022 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Tremolite |
|
Comodi P, Mellini M, Ungaretti L, Zanazzi P F |
| |
European Journal of Mineralogy 3 (1991) 485-499 |
|
Compressibility and high pressure structure refinement |
|
of tremolite, pargasite and glaucophane |
|
Sample: pressure at 35 kbar |
|
_database_code_amcsd 0006414 |
|
9.640 17.890 5.228 90 105.1 90 C2/m |
|
atom x y z occ Uiso |
|
MgM1 0 .0870 1/2 .99 .0059 |
|
FeM1 0 .0870 1/2 .01 .0059 |
|
MgM2 0 .1747 0 .99 .0100 |
|
FeM2 0 .1747 0 .01 .0100 |
|
MgM3 0 0 0 .99 .0064 |
|
FeM3 0 0 0 .01 .0064 |
|
CaM4 0 .2768 1/2 .0044 |
|
SiT1 .2858 .0840 .3005 .0033 |
|
SiT2 .2890 .1716 .8065 .0054 |
|
O1 .1145 .0851 .2170 .0036 |
|
O2 .1163 .1700 .7269 .0042 |
|
OH3 .1110 0 .7152 .0047 |
|
O4 .3643 .2503 .7897 .0054 |
|
O5 .3506 .1367 .1058 .0062 |
|
O6 .3472 .1172 .5947 .0050 |
|
O7 .3460 0 .2909 .0059 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Glaucophane |
|
Comodi P, Mellini M, Ungaretti L, Zanazzi P F |
| |
European Journal of Mineralogy 3 (1991) 485-499 |
|
Compressibility and high pressure structure refinement |
|
of tremolite, pargasite and glaucophane |
|
Sample: pressure at ambient conditions (.001 kbar) |
|
_database_code_amcsd 0006415 |
|
9.531 17.759 5.303 90 103.59 90 C2/m |
|
atom x y z occ Uiso |
|
MgM1 0 .0910 1/2 .72 .0084 |
|
FeM1 0 .0910 1/2 .28 .0084 |
|
AlM2 0 .1809 0 .80 .0069 |
|
FeM2 0 .1809 0 .20 .0069 |
|
MgM3 0 0 0 .54 .0075 |
|
FeM3 0 0 0 .46 .0075 |
|
NaM4 0 .2768 1/2 .99 .0160 |
|
LiM4 0 .2768 1/2 .01 .0160 |
|
SiT1 .2835 .0873 .2922 .0057 |
|
SiT2 .2927 .1730 .8073 .0059 |
|
O1 .1088 .0933 .2035 .0086 |
|
O2 .1176 .1723 .7466 .0081 |
|
O3 .1121 0 .7067 .0098 |
|
O4 .3692 .2527 .8042 .0098 |
|
O5 .3552 .1319 .0879 .0102 |
|
O6 .3408 .1226 .5799 .0101 |
|
O7 .3321 0 .2993 .0107 |
|
H .220 0 .769 .0001 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Glaucophane |
|
Comodi P, Mellini M, Ungaretti L, Zanazzi P F |
| |
European Journal of Mineralogy 3 (1991) 485-499 |
|
Compressibility and high pressure structure refinement |
|
of tremolite, pargasite and glaucophane |
|
Sample: pressure at 20 kbar |
|
_database_code_amcsd 0006416 |
|
9.422 17.662 5.274 90 103.9 90 C2/m |
|
atom x y z occ Uiso |
|
MgM1 0 .0911 1/2 .72 .0222 |
|
FeM1 0 .0911 1/2 .28 .0222 |
|
AlM2 0 .1801 0 .80 .0002 |
|
FeM2 0 .1801 0 .20 .0002 |
|
MgM3 0 0 0 .54 .0002 |
|
FeM3 0 0 0 .46 .0002 |
|
NaM4 0 .2775 1/2 .99 .0180 |
|
LiM4 0 .2775 1/2 .01 .0180 |
|
SiT1 .2850 .0861 .2935 .0040 |
|
SiT2 .2944 .1730 .8076 .0011 |
|
O1 .1105 .0932 .2006 .0023 |
|
O2 .1167 .1724 .7475 .0001 |
|
OH3 .1092 0 .7035 .0057 |
|
O4 .3673 .2543 .7982 .0041 |
|
O5 .3601 .1324 .0959 .0008 |
|
O6 .3464 .1226 .5851 .0064 |
|
O7 .3382 0 .2947 .0087 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Glaucophane |
|
Comodi P, Mellini M, Ungaretti L, Zanazzi P F |
| |
European Journal of Mineralogy 3 (1991) 485-499 |
|
Compressibility and high pressure structure refinement |
|
of tremolite, pargasite and glaucophane |
|
Sample: pressure at 37 kbar |
|
_database_code_amcsd 0006417 |
|
9.349 17.610 5.257 90 103.9 90 C2/m |
|
atom x y z occ Uiso |
|
MgM1 0 .0917 1/2 .72 .0242 |
|
FeM1 0 .0917 1/2 .28 .0242 |
|
AlM2 0 .1791 0 .80 -.0038 |
|
FeM2 0 .1791 0 .20 -.0038 |
|
MgM3 0 0 0 .54 -.0025 |
|
FeM3 0 0 0 .46 -.0025 |
|
NaM4 0 .2779 1/2 .99 .0226 |
|
LiM4 0 .2779 1/2 .01 .0226 |
|
SiT1 .2874 .0867 .2933 .0065 |
|
SiT2 .2959 .1725 .8085 .0003 |
|
O1 .1102 .0918 .2015 .0055 |
|
O2 .1176 .1713 .7476 .0125 |
|
OH3 .1111 0 .7008 .0109 |
|
O4 .3689 .2537 .7914 .0039 |
|
O5 .3656 .1335 .0926 .0143 |
|
O6 .3518 .1212 .5874 .0004 |
|
O7 .3457 0 .3036 .0067 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pargasite |
|
Comodi P, Mellini M, Ungaretti L, Zanazzi P F |
| |
European Journal of Mineralogy 3 (1991) 485-499 |
|
Compressibility and high pressure structure refinement |
|
of tremolite, pargasite and glaucophane |
|
Sample: pressure at ambient conditions (.001 kbar) |
|
_database_code_amcsd 0006418 |
|
9.881 17.998 5.284 90 105.25 90 C2/m |
|
atom x y z occ Uiso |
|
NaA 0 1/2 0 .26 .040 |
|
NaAM .0460 1/2 .1297 .12 .043 |
|
NaA2 0 .4666 0 .12 .025 |
|
KA2 0 .4666 0 .01 .025 |
|
MgM1 0 .0888 1/2 .945 .0058 |
|
FeM1 0 .0888 1/2 .055 .0058 |
|
MgM2 0 .1761 0 .725 .0045 |
|
AlM2 0 .1761 0 .15 .0045 |
|
CrM2 0 .1761 0 .09 .0045 |
|
TiM2 0 .1761 0 .035 .0045 |
|
MgM3 0 0 0 .92 .0046 |
|
FeM3 0 0 0 .08 .0046 |
|
CaM4 0 .2791 1/2 .49 .0096 |
|
FeM4 0 .2791 1/2 .01 .0096 |
|
CaM42 .4653 .2198 .6168 .25 .045 |
|
SiT1 .2797 .0850 .3022 .655 .0052 |
|
AlT1 .2797 .0850 .3022 .345 .0052 |
|
SiT2 .2899 .1726 .8112 .0056 |
|
O1 .1077 .0873 .2185 .0088 |
|
O2 .1193 .1729 .7306 .0089 |
|
O3 .1077 0 .7152 .0103 |
|
O4 .3664 .2494 .7887 .0102 |
|
O5 .3484 .1390 .1096 .0112 |
|
O6 .3436 .1164 .6064 .0125 |
|
O7 .3382 0 .2795 .0132 |
|
H .175 0 .748 .012 |
|
|
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| |
|
Pargasite |
|
Comodi P, Mellini M, Ungaretti L, Zanazzi P F |
| |
European Journal of Mineralogy 3 (1991) 485-499 |
|
Compressibility and high pressure structure refinement |
|
of tremolite, pargasite and glaucophane |
|
Sample: pressure at 35 kbar |
|
_database_code_amcsd 0006419 |
|
9.733 17.828 5.240 90 105.6 90 C2/m |
|
atom x y z occ Uiso |
|
NaA 0 1/2 0 .74 .076 |
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KA 0 1/2 0 .02 .076 |
|
MgM1 0 .0884 1/2 .945 .0076 |
|
FeM1 0 .0884 1/2 .055 .0076 |
|
MgM2 0 .1749 0 .725 .0081 |
|
AlM2 0 .1749 0 .15 .0081 |
|
CrM2 0 .1749 0 .09 .0081 |
|
TiM2 0 .1749 0 .035 .0081 |
|
MgM3 0 0 0 .92 .0072 |
|
FeM3 0 0 0 .08 .0072 |
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CaM4 0 .2786 1/2 .099 .0075 |
|
FeM4 0 .2786 1/2 .01 .0075 |
|
SiT1 .2813 .0847 .3058 .655 .0054 |
|
AlT1 .2813 .0847 .3058 .345 .0054 |
|
SiT2 .2859 .1728 .8113 .0049 |
|
O1 .1068 .0869 .2170 .0081 |
|
O2 .1125 .1716 .7314 .0139 |
|
OH3 .1124 0 .7163 .0120 |
|
O4 .3689 .2508 .7860 .0104 |
|
O5 .3544 .1413 .1204 .0129 |
|
O6 .3461 .1151 .6160 .0137 |
|
O7 .3487 0 .2796 .0122 |
|
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Ferriannite-(Cs) |
| |
Mellini M, Weiss Z, Rieder M, Drabek M |
| |
European Journal of Mineralogy 8 (1996) 1265-1271 |
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Cs-ferriannite as a possible host for waste cesium: crystal |
|
structure and synthesis |
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_database_code_amcsd 0006633 |
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5.487 9.506 10.826 90 99.83 90 C2/m |
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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) |
|
Cs 0 .5 0 .968 .0217 .0205 .0185 0 .0023 0 |
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FeM1 0 0 .5 .984 .0067 .0048 .0128 0 .0025 0 |
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FeM2 0 .3322 .5 .982 .0068 .0048 .0131 0 .0012 0 |
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SiT .0794 .1666 .2382 .781 .0091 .0082 .0109 -.0002 .0020 .0009 |
|
FeT .0794 .1666 .2382 .219 .0091 .0082 .0109 -.0002 .0020 .0009 |
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O1 .0595 0 .1833 .042 .032 .028 0 .0002 0 |
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O2 .3120 .2495 .1847 .037 .042 .025 -.001 .006 -.006 |
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O3 .1340 .1667 .3971 .009 .008 .013 -.000 .002 .000 |
|
O4 .1327 .5 .4009 .010 .007 .017 0 .001 0 |
|
H .089 .5 .314 |
|
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| |
|
Kirschsteinite |
|
Folco L, Mellini M |
| |
European Journal of Mineralogy 9 (1997) 969-973 |
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Crystal chemistry of meteoritic kirschsteinite |
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Sample: KIR1 |
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_database_code_amcsd 0006700 |
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4.877 11.166 6.448 90 90 90 Pbnm |
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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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CaM2 .98072 .27719 .25 .0068 .0072 .0060 .0072 .0006 0 0 |
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FeM1 0 0 0 .77 .0076 .0062 .0088 .0078 -.0009 -.0016 -.0010 |
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MgM1 0 0 0 .22 .0076 .0062 .0088 .0078 -.0009 -.0016 -.0010 |
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Si .41609 .08437 .25 .0060 .0042 .0062 .0074 0 0 0 |
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O1 .7490 .0802 .25 .0096 .0040 .0110 .0139 .0001 0 0 |
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O2 .2344 .4515 .25 .0083 .0073 .0062 .0113 .0001 0 0 |
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O3 .2816 .1507 .0475 .0086 .0088 .0092 .0078 .0009 .0008 .0015 |
|
|
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|
| |
|
Kirschsteinite |
|
Folco L, Mellini M |
| |
European Journal of Mineralogy 9 (1997) 969-973 |
|
Crystal chemistry of meteoritic kirschsteinite |
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Sample: KIR2 |
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Note: U(1,1) of O1 altered to reproduce Uiso |
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_database_code_amcsd 0006701 |
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4.875 11.164 6.447 90 90 90 Pbnm |
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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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CaM2 .98042 .27722 .25 .0072 .0083 .0062 .0072 .0005 0 0 |
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FeM1 0 0 0 .69 .0079 .0073 .0087 .0077 -.0009 -.0016 -.0001 |
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MgM1 0 0 0 .31 .0079 .0073 .0087 .0077 -.0009 -.0016 -.0001 |
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Si .41545 .08422 .25 .0065 .0056 .0064 .0074 .0002 0 0 |
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O1 .7484 .0803 .25 .0103 .0053 .0111 .0140 -.0001 0 0 |
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O2 .2355 .4514 .25 .0088 .0086 .0059 .0118 -.0001 0 0 |
|
O3 .2807 .1505 .0473 .0091 .0100 .0095 .0078 .0012 .0007 .0018 |
|
|
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|
| |
|
Magnesiocarpholite |
|
Fuchs Y, Mellini M, Memmi I |
| |
European Journal of Mineralogy 13 (2001) 533-543 |
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Crystal-chemistry of magnesiocarpholite: controversial X-ray |
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diffraction, Mossbauer, FTIR and Raman results |
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Locality: Monte Argentario |
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_database_code_amcsd 0006870 |
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13.716 20.084 5.110 90 90 90 *Ccca |
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0 -.25 -.25 |
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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) |
|
K 0 .75 .25 .004 .0100 |
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MgM1 0 .87500 .75 .65 .0084 .0068 .0091 .0094 0 .0014 0 |
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FeM1 0 .87500 .75 .35 .0084 .0068 .0091 .0094 0 .0014 0 |
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Al1 .19088 .75 .75 .985 .0060 .0060 .0061 .0060 0 0 .0004 |
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Al2 0 .96131 .25 .985 .0066 .0057 .0075 .0066 0 0 0 |
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Si .19355 .87981 .4167 .0059 .0051 .0065 .0062 .0005 .0000 .0002 |
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O1 .20599 .79991 .4310 .0081 .0085 .0070 .0089 .0005 .0007 .0001 |
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O2 .08047 .89933 .4085 .0084 .0070 .0096 .0087 .0014 .0002 .0015 |
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O3 .24801 .91275 .6711 .0091 .0097 .0096 .0080 -.0001 -.0025 -.0003 |
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Oh1 .09973 .80978 .8791 .987 .0113 .0108 .0126 .0106 .0031 .0005 .0003 |
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F1 .09973 .80978 .8791 .038 .0113 .0108 .0126 .0106 .0031 .0005 .0003 |
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Oh2 .06810 .96589 .9273 .987 .0083 .0058 .0103 .0087 .0006 .0009 .0008 |
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F2 .06810 .96589 .9273 .038 .0083 .0058 .0103 .0087 .0006 .0009 .0008 |
|
H1 -.093 .801 .506 .987 .0610 |
|
H2 .134 .963 .916 .987 .0240 |
|
|
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|
| |
|
Magnesiocarpholite |
|
Fuchs Y, Mellini M, Memmi I |
| |
European Journal of Mineralogy 13 (2001) 533-543 |
|
Crystal-chemistry of magnesiocarpholite: controversial X-ray |
|
diffraction, Mossbauer, FTIR and Raman results |
|
Locality: Monte Leoni |
|
_database_code_amcsd 0006871 |
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13.726 20.099 5.112 90 90 90 *Ccca |
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0 -.25 -.25 |
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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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K 0 .75 .25 .004 .0100 |
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MgM1 0 .87524 .75 .65 .0073 .0058 .0079 .0084 0 .0013 0 |
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FeM1 0 .87524 .75 .35 .0073 .0058 .0079 .0084 0 .0013 0 |
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Al1 .19117 .75 .75 .99 .0056 .0054 .0052 .0061 0 0 .0004 |
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Al2 0 .96128 .25 .99 .0053 .0048 .0057 .0056 0 -.0001 0 |
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Si .19351 .87978 .4167 .0048 .0041 .0053 .0052 .0008 .0001 .0002 |
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O1 .20620 .79982 .4313 .0069 .0070 .0055 .0081 .0006 .0005 .0002 |
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O2 .08032 .89928 .4098 .0073 .0052 .0088 .0078 .0014 .0000 .0013 |
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O3 .24835 .91283 .6708 .0078 .0086 .0074 .0074 -.0004 -.0020 .0008 |
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Oh1 .09982 .80994 .8767 .99 .0101 .0090 .0105 .0107 .0040 .0000 -.0003 |
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F1 .09982 .80994 .8767 .03 .0101 .0090 .0105 .0107 .0040 .0000 -.0003 |
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Oh2 .06814 .96580 .9278 .99 .0071 .0046 .0088 .0079 .0010 .0008 .0003 |
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F2 .06814 .96580 .9278 .03 .0071 .0046 .0088 .0079 .0010 .0008 .0003 |
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H1 -.90 .801 .495 .99 .0680 |
|
H2 .129 .959 .925 .99 .0310 |
|
|
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|
| |
|
Sursassite |
|
Mellini M, Merlino S, Pasero M |
| |
Physics and Chemistry of Minerals 10 (1984) 99-105 |
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X-ray and HRTEM study of sursassite: crystal structure, |
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stacking disorder, and sursassite-pumpellyite intergrowth |
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_database_code_amcsd 0007356 |
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8.70 5.79 9.78 90 108.9 90 P2_1/m |
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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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Mn1 .1686 .25 .3143 .024 .010 .011 0 .002 0 |
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Mn2 .2684 .25 .6754 .034 .004 .006 0 .004 0 |
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Al1 .5 0 .5 .93 .013 .004 .005 .000 .002 .001 |
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Mn1 .5 0 .5 .07 .013 .004 .005 .000 .002 .001 |
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Al2 .5 0 0 .003 .002 .004 -.001 .002 .001 |
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Al3 0 .5 0 .9 .006 .004 .006 -.001 .001 -.001 |
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Mn3 0 .5 0 .1 .006 .004 .006 -.001 .001 -.001 |
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Si1 .3070 .75 .1919 .002 .003 .004 0 .001 0 |
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Si2 .2066 .75 .8078 .003 .002 .003 0 .001 0 |
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Si3 .1576 .75 .4941 .010 .004 .004 0 .004 0 |
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O1 .2664 .5146 .5024 .006 |
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O2 .1927 .5251 .1640 .005 |
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O3 .3138 .5164 .8340 .004 |
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O4 .4154 .75 .0822 .005 |
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O5 .4498 .75 .3555 .006 |
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O6 .0842 .25 .9315 .006 |
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O7 .4392 .25 .3683 .011 |
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O8 .0712 .75 .8949 .002 |
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O9 .0902 .75 .6359 .006 |
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O10 -.0055 .75 .3571 .008 |
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O11 .4133 .25 .0735 .005 |
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H1 .0765 .25 -.1370 .5 |
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H1' .0785 .25 .6434 .5 |
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H2 .3345 .25 .0863 .5 |
|
H2' .1854 .25 -.0470 .5 |
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H3 .4423 .25 .2992 .5 |
|
H3' .3401 .25 .1842 .5 |
|
|
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|
| |
|
Magnesiochloritoid |
|
Comodi P, Mellini M, Zanazzi P F |
| |
Physics and Chemistry of Minerals 18 (1992) 483-490 |
|
Magnesiochloritoid: compressibility and high |
|
pressure structure refinement |
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Sample: WRS (whole reciprocal space), P = 0.001 kbar |
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_database_code_amcsd 0007686 |
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9.434 5.452 18.136 90 101.42 90 C2/c |
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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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Al1A .25 .25 0 .0041 .0049 .0054 -.0001 .0009 .0001 |
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Al2A 0 .4026 .25 .0033 .0042 .0054 0 .0014 0 |
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Mg1B .0840 .7459 .0009 .65 .0046 .0060 .0098 -.0004 .0015 -.0006 |
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Fe1B .0840 .7459 .0009 .35 .0046 .0060 .0098 -.0004 .0015 -.0006 |
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Al2B .2500 .6537 .2489 .0036 .0034 .0056 -.0006 .0009 -.0003 |
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Si .4640 .4029 .1559 .0028 .0032 .0032 -.0001 .0002 .0001 |
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O1A .1148 .3923 .0530 .0069 .0094 .0051 .0002 .0016 -.0008 |
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O1B .2646 .9450 .0501 .0081 .0064 .0043 -.0008 .0005 .0002 |
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O1C .4267 .3979 .0639 .0061 .0073 .0038 -.0008 .0002 -.0001 |
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O2A .3944 .1592 .1881 .0038 .0044 .0058 .0000 .0012 .0003 |
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O2B .3949 .6481 .1872 .0040 .0039 .0063 .0005 .0014 -.0002 |
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O2C .1392 .9036 .1869 .0037 .0040 .0062 .0000 .0003 .0003 |
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O2D .1485 .4019 .2017 .0031 .0040 .0043 -.0005 .0005 -.0001 |
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H1A .1309 .3851 .1016 .0388 |
|
H1B .2154 .5492 -.0954 .0329 |
|
|
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|
| |
|
Magnesiochloritoid |
|
Comodi P, Mellini M, Zanazzi P F |
| |
Physics and Chemistry of Minerals 18 (1992) 483-490 |
|
Magnesiochloritoid: compressibility and high |
|
pressure structure refinement |
|
Sample: LRS (limited reciprocal space), P = 0.001 kbar |
|
_database_code_amcsd 0007687 |
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9.434 5.452 18.136 90 101.42 90 C2/c |
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atom x y z occ Uiso |
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Al1A .25 .25 0 .0050 |
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Al2A 0 .4028 .25 .0042 |
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Mg1B .0840 .7457 .0009 .65 .0055 |
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Fe1B .0840 .7457 .0009 .35 .0055 |
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Al2B .2498 .6539 .2488 .0041 |
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Si .4635 .4029 .1549 .0036 |
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OH1A .1156 .3921 .0550 .0066 |
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OH1B .2652 .9451 .0512 .0064 |
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O1C .4265 .3977 .0634 .0078 |
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O2A .3944 .1590 .1884 .0044 |
|
O2B .3948 .6481 .1877 .0041 |
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O2C .1394 .9039 .1869 .0046 |
|
O2D .1482 .4019 .2005 .0034 |
|
|
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|
| |
|
Magnesiochloritoid |
|
Comodi P, Mellini M, Zanazzi P F |
| |
Physics and Chemistry of Minerals 18 (1992) 483-490 |
|
Magnesiochloritoid: compressibility and high |
|
pressure structure refinement |
|
Sample: P = 34 kbar |
|
_database_code_amcsd 0007688 |
|
9.367 5.419 17.96 90 101.4 90 C2/c |
|
atom x y z occ Uiso |
|
Al1A .25 .25 0 .0069 |
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Al2A 0 .4064 .25 .0032 |
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Mg1B .0838 .7455 .0005 .65 .0037 |
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Fe1B .0838 .7455 .0005 .35 .0037 |
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Al2B .2494 .6576 .2487 .0035 |
|
Si .4634 .4053 .1533 .0019 |
|
OH1A .1156 .3936 .0535 .0064 |
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OH1B .2666 .9463 .0511 .0033 |
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O1C .4239 .3985 .0593 .0064 |
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O2A .3942 .1592 .1892 .0067 |
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O2B .3945 .6497 .1882 .0047 |
|
O2C .1404 .9075 .1876 .0045 |
|
O2D .1483 .4043 .1994 .0040 |
|
|
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|
| |
|
Arrojadite-(KFe) |
| |
Merlino S, Mellini M, Zanazzi P F |
 |
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 |
|
atom x y z occ Biso |
|
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 |
|
KX4 0 .5043 .25 .75 2.87 |
|
NaX4 0 .5043 .25 .25 2.87 |
|
NaX5 0 .1460 .25 .86 6.40 |
|
LiM1 .2202 .8957 .4738 .06 2.52 |
|
MgM1 .2202 .8957 .4738 .25 2.52 |
|
FeM1 .2202 .8957 .4738 .69 2.52 |
|
FeM2 .2123 .0078 .2674 .88 |
|
FeM3 .1066 .0142 .1394 1.14 |
|
FeM4 .0222 .2496 .4036 .66 |
|
FeM5 .0334 .7434 .4004 .58 |
|
MnM6 .2044 .6992 .3517 .73 |
|
MnM7 .2193 .2945 .3432 .90 |
|
Al 0 .5 0 .38 |
|
P1 .1130 .0085 .3662 1.78 |
|
P2 .1303 .4670 .4246 .48 |
|
P3 .1259 .2518 .0385 .43 |
|
P4 .1023 .7673 .0474 .47 |
|
P5 .1304 .7241 .2115 .57 |
|
P6 .1425 .2972 .2045 .77 |
|
O1 .0250 .0614 .3675 1.10 |
|
O2 .1120 .8584 .3635 1.10 |
|
O3 .1426 .0770 .3220 2.17 |
|
O4 .1807 .0462 .4222 3.15 |
|
O5 .0501 .4448 .4450 .53 |
|
O6 .1213 .5879 .3924 .96 |
|
O7 .1301 .3445 .3871 .92 |
|
O8 .2103 .4637 .4733 1.44 |
|
O9 .0842 .1664 .0751 .89 |
|
O10 .0941 .3951 .0360 .71 |
|
O11 .1078 .8109 .4794 .96 |
|
O12 .2224 .2533 .0623 1.07 |
|
O13 .0467 .6428 .0482 .66 |
|
O14 .0652 .8719 .0794 .82 |
|
O15 .0961 .1861 .4874 1.16 |
|
O16 .1939 .7357 .0770 1.17 |
|
O17 .0484 .6785 .1703 1.21 |
|
O18 .1315 .6781 .2703 1.38 |
|
O19 .1395 .8773 .2088 1.70 |
|
O20 .2044 .6604 .1938 1.21 |
|
O21 .0583 .3402 .1653 1.21 |
|
O22 .1516 .3509 .2632 2.39 |
|
O23 .1489 .1447 .2052 1.15 |
|
O24 .2156 .3541 .1824 1.70 |
|
OH25 .2315 .0013 .1383 1.13 |
|
|
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|
| |
|
Ktenasite |
|
Mellini M, Merlino S |
|
Zeitschrift fur Kristallographie 147 (1978) 129-140 |
|
Ktenasite, another mineral with 2[(Cu,Zn)2(OH)3O]- octahedral sheets |
|
Locality: Miniera Trentin, Vicenza, Italy |
|
_database_code_amcsd 0010799 |
|
5.589 6.166 23.751 90 95.55 90 P2_1/c |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Cu1 -.0106 .0995 .2490 .45 .0098 .0096 .0010 .0001 .0007 .0001 |
|
Zn1 -.0106 .0995 .2490 .55 .0098 .0096 .0010 .0001 .0007 .0001 |
|
Cu2 .4990 -.1508 .2470 .75 .0109 .0114 .0011 -.0006 .0010 .0000 |
|
Zn2 .4990 -.1508 .2470 .25 .0109 .0114 .0011 -.0006 .0010 .0000 |
|
Zn 0 0 0 .0149 .0141 .0008 -.0002 .0007 .0000 |
|
S .3600 .0571 .3738 .0082 .0085 .0004 .0009 .0005 -.0003 |
|
O1 .3328 .0946 .3128 .007 .011 .0006 .001 .0006 .0005 |
|
Oh2 .6073 .1049 .2096 .008 .011 .0005 .000 .0012 .0000 |
|
Oh3 .8396 .3556 .2896 .004 .012 .0006 .000 .0004 .0005 |
|
Oh4 .1635 .3440 .2149 .007 .012 .0005 .000 .0007 .0003 |
|
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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|
| |
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Posnjakite |
|
Mellini M, Merlino S |
|
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 |
|
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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| |
|
Wohlerite |
|
Mellini M, Merlino S |
| |
Tschermaks Mineralogische und Petrographische Mitteilungen 26 (1979) 109-123 |
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Refinement of the crystal structure of wohlerite |
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Locality: Brevig, Norway |
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_database_code_amcsd 0015674 |
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10.823 10.244 7.290 90 109.00 90 P2_1 |
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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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Na1 .12210 .06891 .68654 1.25 .00323 .00187 .00911 .00121 .00232 .00137 |
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Na2 .36673 .91655 .55120 1.06 .00251 .00303 .00496 .00038 .00160 .00040 |
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Ca1 .34605 .30037 .55184 .78 .00187 .00184 .00406 -.00059 .00087 -.00048 |
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Zr .34201 .28972 .05379 .42 .00098 .00122 .00185 .00016 .00046 .00000 |
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Nb .13104 .05243 .19173 .74 .00231 .00138 .00426 -.00023 .00165 -.00003 |
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Ca2 .14570 .6815 .19979 .56 .00128 .00169 .00259 -.00046 .00089 -.00026 |
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Ca3 .36750 .91284 .05383 .73 .00155 .00213 .00316 -.00009 .00052 -.00034 |
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Ca4 .15345 .6836 .69983 .62 .00153 .00153 .00304 -.00031 .00076 -.00015 |
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Si1 .07971 .37343 .19749 .42 .00103 .00099 .00206 .00015 .00034 .00017 |
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Si2 .07238 .36493 .63666 .44 .00121 .00097 .00223 .00006 .00059 .00012 |
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Si3 .43941 .61333 .56312 .49 .00124 .00125 .00242 -.00005 .00074 .00001 |
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Si4 .43303 .6126 .12460 .44 .00120 .00101 .00200 -.00009 .00044 -.00009 |
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O1 .0095 .2364 .1200 .82 .00216 .00159 .00408 .0000 .00047 .00000 |
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O2 -.0197 .2413 .6175 .82 .00177 .00178 .00518 -.00029 .00108 -.00008 |
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O3 .0056 .5017 .0851 .95 .00272 .00162 .00440 .00067 .00030 .00088 |
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O4 .0185 .4994 .6984 .93 .00218 .00149 .00741 .00002 .00230 -.00113 |
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O5 .2322 .3754 .2078 .95 .00184 .00280 .00586 .00010 .00206 -.00033 |
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O6 .2209 .3363 .7744 .99 .00161 .00335 .00456 .00030 .00030 .00084 |
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O7 .4892 .4720 .6505 1.02 .00198 .00185 .00492 -.00019 -.00050 .00061 |
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O8 .4573 .4644 .0718 .91 .00225 .00146 .00722 -.00007 .00244 -.00042 |
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O9 .4746 .2359 .3195 .87 .00190 .00197 .00387 .00018 -.00033 .00080 |
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O10 .4630 .2165 .9120 1.12 .00285 .00259 .00652 .00072 .00234 -.00070 |
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O11 .2865 .6398 .5154 1.24 .00187 .00438 .00592 .00061 .00127 -.00042 |
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O12 .2888 .6700 .0234 1.01 .00155 .00297 .00556 .00075 .00057 .00070 |
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O13 .2449 .1173 .0435 .92 .00250 .00139 .00616 -.00025 .00156 -.00007 |
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O14 .2236 .1183 .4363 .77 .00160 .00164 .00459 -.00063 .00048 -.00091 |
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F15 .2393 .8891 .7435 .91 .00223 .00216 .00400 .00019 .00046 .00030 |
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O16 .2136 .8927 .2241 .77 .00248 .00108 .00503 -.00024 .00192 .00000 |
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O17 .0867 .3950 .4228 1.39 .00505 .00375 .00342 -.00061 .00239 -.00013 |
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O18 .5230 .1240 .6400 1.10 .00284 .00362 .00323 .00024 .00117 .00007 |
|
|
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|
| |
|
Lavenite |
|
Mellini M |
| |
Tschermaks Mineralogische und Petrographische Mitteilungen 28 (1981) 99-112 |
|
Refinement of the crystal structure of lavenite |
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Locality: Langesund, Norway |
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_database_code_amcsd 0015682 |
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10.83 9.98 7.174 90 108.1 90 P2_1/a |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na1 .3042 .1076 .5262 .9 1.16 .0123 .0155 .0154 -.0007 .0031 -.0042 |
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Ca1 .3042 .1076 .5262 .1 1.16 .0123 .0155 .0154 -.0007 .0031 -.0042 |
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Na2 .4262 .3792 .3443 .6 1.23 .0152 .0158 .0162 -.0027 .0053 -.0055 |
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Ca2 .4262 .3792 .3443 .4 1.23 .0152 .0158 .0162 -.0027 .0053 -.0055 |
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Zr .2961 .1050 .0253 .86 .82 .0076 .0087 .0146 .0007 .0028 .0030 |
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Nb .2961 .1050 .0253 .14 .82 .0076 .0087 .0146 .0007 .0028 .0030 |
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Fe2+ .4367 .3762 .8535 .22 .84 .0102 .0117 .0106 -.0031 .0040 -.0009 |
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CaFe .4367 .3762 .8535 .24 .84 .0102 .0117 .0106 -.0031 .0040 -.0009 |
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MnFe .4367 .3762 .8535 .32 .84 .0102 .0117 .0106 -.0031 .0040 -.0009 |
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TiFe .4367 .3762 .8535 .16 .84 .0102 .0117 .0106 -.0031 .0040 -.0009 |
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ZrFe .4367 .3762 .8535 .05 .84 .0102 .0117 .0106 -.0031 .0040 -.0009 |
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MgFe .4367 .3762 .8535 .01 .84 .0102 .0117 .0106 -.0031 .0040 -.0009 |
|
Si1 .6236 .1670 .2199 .51 .0044 .0069 .0076 -.0001 .0013 .0005 |
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Si2 .6195 .1681 .6670 .52 .0048 .0071 .0075 -.0005 .0012 -.0006 |
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O1 .6334 .1690 .4499 1.91 .0065 .0371 .0299 -.0010 .0068 -.0050 |
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O2 .7412 .2628 .2072 1.04 .0161 .0112 .0125 .0034 .0047 -.0013 |
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O3 .7490 .2472 .8001 1.34 .0116 .0206 .0164 -.0064 .0012 -.0076 |
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O4 .6536 .0152 .1686 1.10 .0183 .0079 .0177 -.0011 .0089 .0014 |
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O5 .6270 .0129 .7363 1.29 .0166 .0118 .0201 .0060 .0048 .0019 |
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O6 .4805 .2204 .0942 .97 .0139 .0108 .0090 .0024 -.0009 .0017 |
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O7 .4873 .2412 .6613 1.56 .0357 .0147 .0109 .0000 .0102 .0029 |
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O8 .6190 .4791 .9573 1.59 .0172 .0313 .0124 .0114 .0054 .0085 |
|
F .3865 .5029 .6005 2.15 .0324 .0278 .0164 -.0108 .0000 .0048 |
|
|
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|
| |
|
Niocalite |
|
Mellini M |
| |
Tschermaks Mineralogische und Petrographische Mitteilungen 30 (1982) 249-266 |
|
Niocalite revised: Twinning and crystal structure |
|
Note: cuspidine structure |
|
Locality: Oka, Quebec, Canada |
|
_database_code_amcsd 0015690 |
|
10.863 10.431 7.370 90 110.1 90 Pa |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 .9253 .6539 .4781 .018 .008 .008 -.005 .007 .000 |
|
Ca2 .9179 .6651 .9733 .007 .009 .005 .000 .003 .001 |
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Ca3 .8123 .3743 .6825 .012 .009 .010 -.002 .004 .000 |
|
Ca4 .8200 .3679 .1700 .032 .015 .011 .003 .008 .000 |
|
Nb1 .6823 .1395 .8605 .003 .002 .001 .002 .001 .001 |
|
Ca5 .6628 .1325 .3504 .011 .014 .016 -.004 .004 -.001 |
|
Ca6 .5731 -.1617 .5523 .027 .013 .008 -.013 .006 -.004 |
|
Ca7 .5639 -.1542 .0428 .012 .005 .008 -.002 .003 -.002 |
|
Si1 .3651 .0654 .6663 .010 .008 .011 -.001 .004 -.003 |
|
Si2 .3776 .0541 .2414 .010 .008 .011 .001 .004 .000 |
|
Si3 .6169 .5578 .3524 .010 .014 .019 .000 .005 -.003 |
|
Si4 .6094 .5593 .7925 .010 .009 .009 .004 .000 .002 |
|
O1 .506 .009 .788 .008 .015 .024 .000 .000 .012 |
|
O2 .509 -.026 .269 .005 .027 .024 .004 .002 -.001 |
|
O3 .236 -.003 .686 .006 .024 .030 -.004 .009 .016 |
|
O4 .244 .005 .078 .008 .024 .015 .000 -.011 -.020 |
|
O5 .345 .219 .680 .028 .011 .025 .008 .004 .004 |
|
O6 .404 .201 .222 .084 .000 .024 -.006 .034 -.009 |
|
O7 .755 .502 .363 .020 .022 .030 .006 .013 .003 |
|
O8 .745 .505 .921 .011 .008 .045 -.002 .006 .001 |
|
O9 .493 .470 .240 .019 .020 .031 -.008 .007 -.013 |
|
O10 .482 .475 .775 .014 .016 .020 -.006 .002 .008 |
|
O11 .587 .704 .300 .055 .003 .011 .008 .002 .001 |
|
O12 .578 .710 .808 .012 .022 .014 .009 .001 -.005 |
|
O13 .626 .239 .042 .009 .033 .018 -.004 -.003 .007 |
|
O14 .623 .237 .622 .012 .007 .039 .000 .004 -.007 |
|
F .853 .246 .447 .013 .040 .055 .004 -.002 -.015 |
|
O16 .845 .225 .937 .000 .040 .021 -.008 -.008 .008 |
|
O17 .339 .032 .436 .049 .013 .025 -.007 .020 -.003 |
|
O18 .623 .533 .576 .055 .034 .014 .009 .022 -.001 |
|
|
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View JMOL 3-D Structure
|
| |
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