|
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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|
| |
|
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 |
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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 |
|
OA2 .0269 .0387 .5661 .167 .13 |
|
OB2 .0584 .0569 .1804 .5 .104 |
|
|
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|
| |
|
Penkvilksite |
|
Merlino S, Pasero M, Artioli G, Khomyakov A P |
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American Mineralogist 79 (1994) 1185-1193 |
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Penkvilksite, a new kind of silicate structure: OD character, X-ray |
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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 |
|
Ti 0 .5 0 .9 .0310 |
|
Zr 0 .5 0 .1 .0310 |
|
Si1 .0825 .1613 .1247 .0312 |
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Si2 .1567 .4399 .2603 .0161 |
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Na .1023 .6911 .6220 .063 |
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O1 .1599 .2612 .2006 .025 |
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O2 .0501 .0372 .2695 .028 |
|
O3 .0074 .2704 .0633 .025 |
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O4 .1162 .0507 -.0389 .033 |
|
O5 .1115 .5394 .1052 .021 |
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O6 .25 .5 .2705 .016 |
|
OW .1954 .6844 -.1548 .049 |
|
H1 .173 .586 -.108 .10 |
|
H2 .242 .650 -.232 .14 |
|
|
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|
| |
|
Penkvilksite |
|
Merlino S, Pasero M, Artioli G, Khomyakov A P |
|
American Mineralogist 79 (1994) 1185-1193 |
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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 |
|
|
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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 |
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Pb3 0 0 .5 .955 .0291 |
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Pb3' 0 0 0 .045 .04 |
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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 |
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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 |
|
|
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|
| |
|
Dessauite-(Y) |
| |
Orlandi P, Pasero M, Duchi G, Olmi F |
|
American Mineralogist 82 (1997) 807-811 |
|
Dessauite, (Sr,Pb)(Y,U)(Ti,Fe)20O38, a new mineral of the crichtonite group |
|
from Buca della Vena mine, Tuscany, Italy |
|
_database_code_amcsd 0001929 |
|
9.197 9.197 9.197 68.75 68.75 68.75 R-3 |
|
atom x y z occ Uiso |
|
Sr0 0 0 0 .42 .0186 |
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Pb0 0 0 0 .24 .0186 |
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Ba0 0 0 0 .12 .0186 |
|
Y1 .5 .5 .5 .30 .0063 |
|
U1 .5 .5 .5 .30 .0063 |
|
Mn1 .5 .5 .5 .12 .0063 |
|
La1 .5 .5 .5 .12 .0063 |
|
Ce1 .5 .5 .5 .06 .0063 |
|
Fe2 .3095 .3095 .3095 .93 .0089 |
|
Fe3 .3479 .1263 .0207 .77 .0063 |
|
Ti3 .3479 .1263 .0207 .19 .0063 |
|
Ti4 .3088 .7208 .1464 .96 .0068 |
|
Ti5 .4740 .0791 .6426 .96 .0063 |
|
Fe6 .396 .396 .396 .07 .010 |
|
Fe7 .264 .423 .806 .12 .007 |
|
Fe8 .226 .138 .456 .06 .009 |
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Fe9 .926 .237 .158 .06 .005 |
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O1 .304 .628 .380 .006 |
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O2 .153 .238 .938 .004 |
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O3 .918 .457 .303 .005 |
|
O4 .144 .519 .990 .006 |
|
O5 .391 .480 .138 .009 |
|
O6 .7062 .2379 .0714 .001 |
|
O7 .2150 .2150 .2150 .011 |
|
|
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|
| |
|
Scandiobabingtonite |
| |
Orlandi P, Pasero M, Vezzalini G |
|
American Mineralogist 83 (1998) 1330-1334 |
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Scandiobabingtonite, a new mineral from the Baveno pegmatite, Piedmont, Italy |
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Locality: "Montecatini" granite quarry, near Baveno, Novara, Piedmont, Italy |
|
_database_code_amcsd 0002052 |
|
7.536 11.734 6.748 91.70 93.86 104.53 P-1 |
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atom x y z occ Biso |
|
Ca1 .7858 .9429 .1445 .855 .98 |
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Na1 .7858 .9429 .1445 .125 .98 |
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Ca2 .2344 .5223 .2999 .855 1.02 |
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Na2 .2344 .5223 .2999 .125 1.02 |
|
Fe1 .5915 .6448 .0615 .65 .71 |
|
Mn1 .5915 .6448 .0615 .32 .71 |
|
Sc2 .0457 .2355 .1871 .91 .60 |
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Sn2 .0457 .2355 .1871 .04 .60 |
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Fe2 .0457 .2355 .1871 .03 .60 |
|
Si1 .2906 .0538 .3408 .66 |
|
Si2 .4635 .3155 .4261 .60 |
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Si3 .8070 .4473 .2129 .61 |
|
Si4 .9890 .7148 .3071 .58 |
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Si5 .3292 .8386 .1074 .66 |
|
OH1 .1993 .9898 .5342 1.28 |
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O2 .1315 .0773 .1836 .93 |
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O3 .4346 .1733 .4321 .90 |
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O4 .3230 .3416 .2478 .8 |
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O5 .5474 .6223 .3618 .84 |
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O6 .6807 .3733 .3764 .85 |
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O7 .9670 .3864 .1589 .86 |
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O8 .6767 .4744 .0311 .99 |
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O9 .9259 .5710 .3367 .8 |
|
O10 .8694 .7534 .1242 .84 |
|
O11 .0195 .2184 .4843 1.01 |
|
O12 .2034 .7395 .2464 .84 |
|
O13 .5106 .8003 .0577 1.00 |
|
O14 .7992 .1380 .0795 .91 |
|
O15 .3977 .9681 .2311 1.08 |
|
|
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|
| |
|
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 |
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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 |
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Ca1 .3925 .6497 .6144 .0120 .0105 .0102 .0160 .0001 .0030 .0028 |
|
Ca2 .8932 .6576 .6137 .0118 .0115 .0082 .0155 -.0009 .0017 .0013 |
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Al1 .2511 .5453 .1813 .0142 .013 .014 .018 -.0003 .003 .005 |
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F1 .0673 .5655 .2648 .017 .013 .020 .020 -.004 .006 .004 |
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F2 .8449 .8984 .2749 .021 .018 .028 .020 .003 .004 .005 |
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F3 .1484 .6981 .0948 .030 .016 .015 .023 .000 .002 -.006 |
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F4 .4319 .5265 .1002 .022 .030 .025 .035 .004 -.002 .013 |
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F5 .6474 .8513 .0930 .027 .013 .009 .014 -.001 .002 -.001 |
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F6 .3443 .7371 .2768 .019 .016 .010 .015 .002 .004 .000 |
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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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|
| |
|
Gelosaite |
| |
Orlandi P, Demartin F, Pasero M, Leverett P, Williams P A, Hibbs D E |
| |
American Mineralogist 96 (2011) 268-273 |
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Gelosaite, BiMo6+(2-5x)Mo5+6xO7(OH)·H2O (0<=x<=0.4), a new mineral from |
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Su Senargiu (CA), Sardinia, Italy, and a second occurrence from Kingsgate, |
|
New England, Australia |
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Locality: Su Senargiu, Sardinia, Italy |
|
_database_code_amcsd 0018668 |
|
5.8505 9.0421 13.9173 90 100.42 90 P2_1/n |
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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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Bi .403568 .416894 .106492 .01002 .01043 .00849 .00829 .00045 .00220 .00109 |
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Mo1 .86623 .10399 .157185 .00901 .01168 .00809 .00835 .00116 .00261 .00165 |
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Mo2 .63232 .22137 .340837 .00927 .0218 .0222 .0162 .0025 .0048 .0017 |
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Mo3 .6321 -.0443 .3396 .028 .0124 .0210 .0161 .0103 .0042 .0019 -.0006 |
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Mo4 1.0937 .2597 .3943 .074 .0204 .0150 .0170 .0236 -.0025 .0049 .0074 |
|
Ow .9606 .4172 .34252 .0199 .0177 .0110 .0109 .0055 .0049 .0023 |
|
O2 .7548 .09301 .03404 .0159 .0289 .0140 .0109 .0106 .0042 .0045 |
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O3 .3999 .10589 .33664 .0184 .0139 .0127 .0129 -.0079 .0063 -.0060 |
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O4 .6397 .24002 .19069 .0129 .0121 .0092 .0137 .0008 .0020 -.0008 |
|
O5 .7450 .2435 .46385 .0179 .0145 .0112 .0084 .0047 .0019 .0044 |
|
Oh .8231 -.08846 .48180 .0127 .0202 .0199 .0201 -.0070 .0026 .0018 |
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O7 1.0121 -.08756 .18310 .0117 |
|
O8 .8649 .08618 .31149 .0114 |
|
O9 1.1009 .21738 .16456 .0202 |
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H(1w) 1.028 .426 .303 .048 |
|
H(2w) 1.041 .428 .393 .034 |
|
H3 .7578 -.1696 .4894 .050 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Beraunite |
|
Marzoni Fecia di Cossato Y, Orlandi P, Pasero M |
|
The Canadian Mineralogist 27 (1989) 441-446 |
|
Manganese-bearing beraunite from Mangualde, Portugal: mineral data |
|
and structure refinement |
|
Locality: Mangualde, Portugal |
|
_database_code_amcsd 0005231 |
|
20.760 5.154 19.248 90 93.55 90 C2/c |
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atom x y z occ Uiso |
|
Fe1 0 0 0 .8 .0131 |
|
Mn1 0 0 0 .2 .0131 |
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Mn2 .25 .25 0 .0093 |
|
Fe3 .04363 .27055 .17228 .0110 |
|
Fe4 .10754 .03252 .41240 .0107 |
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P1 .10480 .47752 .02599 .0081 |
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P2 .40746 .03940 .18244 .0092 |
|
O1 .1772 .4856 .0154 .0126 |
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O2 .4273 .2454 .0185 .0119 |
|
O3 .4242 .2402 .4996 .0154 |
|
O4 .0925 .4392 .1020 .0189 |
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O5 .4794 .0458 .1684 .0141 |
|
O6 .1017 .4779 .2410 .0157 |
|
O7 .3788 .3087 .1655 .0124 |
|
O8 .1299 .3414 .3643 .0134 |
|
O9 .0076 .0464 .3965 .0168 |
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O10 .1912 .0172 .4622 .0145 |
|
O11 0 .1035 .25 .0173 |
|
O12 .3857 .4728 .3214 .0245 |
|
O13 .2471 .0839 .0977 .0187 |
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O14 .2310 .3490 .2156 .0387 |
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H1 .009 .950 .388 .17 |
|
H2 .191 .117 .476 .04 |
|
H3 -.002 .978 .235 .5 .14 |
|
H4 .127 .907 .154 .14 |
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H5 .113 .909 .215 .12 |
|
H6 .289 .974 .111 .10 |
|
H7 .241 .161 .126 .03 |
|
H8 .252 .957 .276 .04 |
|
H9 .191 .386 .218 .09 |
|
|
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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) |
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Sample: CH |
|
_database_code_amcsd 0005624 |
|
14.1273 14.1273 14.1273 90 90 90 *Fd-3m |
|
.125 .125 .125 |
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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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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 |
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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) |
|
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 |
|
|
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Megakalsilite |
| |
Khomyakov A P, Nechelyustov G N, Sokolova E V, Bonaccorsi E, Merlino S, Pasero M |
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The Canadian Mineralogist 40 (2002) 961-970 |
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Megakalsilite, a new polymorph of KAlSiO4 from the Khibina alkaline massif, |
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Kola Peninsula, Russia: mineral description and crystal structure |
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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 |
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O(5) .9308 .8671 .2178 .0172 .0130 .0167 .0221 .0074 -.0022 .0040 |
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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 |
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O(10) .4361 .5771 .1895 .0193 .0198 .0116 .0227 .0049 .0052 -.0011 |
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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 |
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Pushcharovsky D Y, Lebedeva Y S, Zubkova N V, Pasero M, Bellezza M, |
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Merlino S, Chukanov N V |
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The Canadian Mineralogist 42 (2004) 723-729 |
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The crystal structure of sturmanite |
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Locality: Black Rock mine, Kuruman District, Kalahari manganese field, North Cape province, South Africa |
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_database_code_amcsd 0005934 |
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11.188 11.188 21.91 90 90 120 P31c |
|
atom x y z occ Uiso |
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Fe1 0 0 .0527 .29 .0162 |
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Fe2 0 0 .3015 .30 .0174 |
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Ca1 .0088 .8133 .9276 .0224 |
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Ca2 .9966 .1941 .1775 .0298 |
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S1 1/3 2/3 .5454 .24 .0177 |
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B1 1/3 2/3 .5378 .09 .020 |
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S2 1/3 2/3 .8032 .0253 |
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S3 1/3 2/3 .0571 .0341 |
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B4 1/3 2/3 .3036 .049 |
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O1 .9911 .1295 .9935 .028 |
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O2 .0077 .8616 .1070 .024 |
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O3 -.0028 .1371 .8609 .024 |
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O4 .0057 .8691 .2456 .041 |
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O5 .0023 .3355 .0986 .041 |
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O6 .0157 .6591 .0077 .040 |
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O7 .9939 .3553 .2560 .075 |
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O8 .9952 .6660 .8428 .034 |
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O9 .2655 .4111 .6759 .056 |
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O10 .7416 .5858 .4296 .036 |
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O11 .2397 .3986 .1820 .038 |
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O12 .7393 .5784 .9240 .084 |
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O13 1/3 2/3 .4816 .24 .135 |
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O14 1/3 2/3 .7369 .17 .046 |
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O14' 1/3 2/3 .8694 .17 .046 |
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O15 1/3 2/3 .1218 .017 |
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O16 .1995 .6326 .5671 .025 |
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O17 .1914 .579 .8233 .50 .044 |
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O17' .1963 .632 .7728 .50 .044 |
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O18 .1917 .5844 .0421 .169 |
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O19 .2325 .7100 .2816 .50 .076 |
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O19' .1861 .572 .3248 .50 .076 |
|
O20 1/3 2/3 .3702 .17 .091 |
|
O20' 1/3 2/3 .2363 .17 .091 |
|
|
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|
| |
|
Calcium catapleiite |
|
Merlino S, Pasero M, Bellezza M, Pushcharovsky D Y, Gobetchia E R, |
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Zubkova N V, Pekov I V |
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The Canadian Mineralogist 42 (2004) 1037-1045 |
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The crystal structure of calcium catapleiite |
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_database_code_amcsd 0005960 |
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7.378 12.779 10.096 90 90 90 Pbnn |
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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) |
|
Ca1 .5 .5 0 .776 .0157 .0188 .0134 .0147 .0043 -.0046 -.0025 |
|
Ca2 .7485 .75 0 .224 .0145 .0106 .0213 .0116 0 0 .0044 |
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Zr .7442 .25 0 .0092 .0098 .0113 .0066 0 0 .0001 |
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Si1 .4545 .3467 .7488 .0119 .0119 .0154 .0087 .0024 .0002 -.0007 |
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Si2 .25 .5528 .75 .0115 .0150 .0108 .0086 0 -.0018 0 |
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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 |
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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 |
|
|
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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 |
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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 |
|
|
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|
| |
|
Allanite-(La) |
| |
Orlandi P, Pasero M |
|
The Canadian Mineralogist 44 (2006) 63-68 |
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Allanite-(La) from Buca della Vena mine, Apuan Alps, Italy, an epidote-group mineral |
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Locality: Buca della Vena mine, near Stazzema, Apuan Alps, Tuscany, Italy |
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_database_code_amcsd 0006069 |
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8.914 5.726 10.132 90 114.87 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) |
|
CaA1 .7590 .75 .15183 .0130 .0161 .0098 .0149 0 .0083 0 |
|
CaA2 .59437 .75 .42901 .311 .01187 .0091 .0125 .0124 0 .00294 0 |
|
LaA2 .59437 .75 .42901 .274 .01187 .0091 .0125 .0124 0 .00294 0 |
|
CeA2 .59437 .75 .42901 .196 .01187 .0091 .0125 .0124 0 .00294 0 |
|
NdA2 .59437 .75 .42901 .111 .01187 .0091 .0125 .0124 0 .00294 0 |
|
PrA2 .59437 .75 .42901 .101 .01187 .0091 .0125 .0124 0 .00294 0 |
|
ThA2 .59437 .75 .42901 .006 .01187 .0091 .0125 .0124 0 .00294 0 |
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YA2 .59437 .75 .42901 .001 .01187 .0091 .0125 .0124 0 .00294 0 |
|
AlM1 0 0 0 .871 .0083 .0070 .0056 .0113 -.0001 .0030 -.0005 |
|
Fe3+M1 0 0 0 .129 .0083 .0070 .0056 .0113 -.0001 .0030 -.0005 |
|
AlM2 0 0 .5 .0086 .0067 .0055 .0128 .0005 .0033 -.0003 |
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Fe2+M3 .29816 .25 .21552 .621 .0108 .0076 .0092 .0129 0 .0017 0 |
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Fe3+M3 .29816 .25 .21552 .259 .0108 .0076 .0092 .0129 0 .0017 0 |
|
MgM3 .29816 .25 .21552 .120 .0108 .0076 .0092 .0129 0 .0017 0 |
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Si1 .3374 .75 .0394 .0091 .0077 .0071 .0113 0 .0029 0 |
|
Si2 .6852 .25 .2793 .0090 .0075 .0076 .0115 0 .0036 0 |
|
Si3 .1857 .75 .3217 .0086 .0071 .0078 .0108 0 .0036 0 |
|
O1 .2326 .9899 .0302 .0135 .0109 .0080 .0225 .0014 .0079 .0034 |
|
O2 .3094 .9736 .3634 .0140 .0121 .0135 .0171 -.0051 .0067 -.0029 |
|
O3 .7948 .0139 .3403 .0121 .0083 .0079 .0155 .0005 .0006 -.0018 |
|
O4 .0550 .25 .1294 .0107 .009 .008 .014 0 .0034 0 |
|
O5 .0471 .75 .1495 .0115 .011 .010 .013 0 .0042 0 |
|
O6 .0651 .75 .4083 .0106 .010 .007 .016 0 .0077 0 |
|
O7 .5104 .75 .1792 .0138 .009 .015 .014 0 .0022 0 |
|
O8 .5364 .25 .3269 .0183 .012 .025 .022 0 .011 0 |
|
O9 .6165 .25 .1017 .0180 .017 .023 .014 0 .006 0 |
|
O10 .0830 .25 .4269 .0106 .010 .009 .014 0 .0053 0 |
|
H10 .06 .25 .35 .06 |
|
|
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|
| |
|
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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|
| |
|
Calcioancylite-(Nd) |
|
Orlandi P, Pasero M, Vezzalini G |
| |
European Journal of Mineralogy 2 (1990) 413-418 |
|
Calcio-ancylite-(Nd), a new REE-carbonate from Baveno, Italy |
|
Locality: Baveno, Italy |
|
_database_code_amcsd 0006385 |
|
4.976 8.468 7.212 90.04 90 90 *Pm |
|
.25 0 0 |
|
atom x y z occ Uiso |
|
NdM1 1/4 .3399 .3524 .225 .0132 |
|
CeM1 1/4 .3399 .3524 .160 .0132 |
|
SmM1 1/4 .3399 .3524 .083 .0132 |
|
GdM1 1/4 .3399 .3524 .070 .0132 |
|
YM1 1/4 .3399 .3524 .065 .0132 |
|
PrM1 1/4 .3399 .3524 .037 .0132 |
|
LaM1 1/4 .3399 .3524 .035 .0132 |
|
DyM1 1/4 .3399 .3524 .017 .0132 |
|
TmM1 1/4 .3399 .3524 .007 .0132 |
|
CaM1 1/4 .3399 .3524 .300 .0132 |
|
NdM2 1/4 .1677 .8517 .130 .0149 |
|
CeM2 1/4 .1677 .8517 .092 .0149 |
|
SmM2 1/4 .1677 .8517 .048 .0149 |
|
GdM2 1/4 .1677 .8517 .040 .0149 |
|
YM2 1/4 .1677 .8517 .037 .0149 |
|
PrM2 1/4 .1677 .8517 .022 .0149 |
|
LaM2 1/4 .1677 .8517 .020 .0149 |
|
DyM2 1/4 .1677 .8517 .010 .0149 |
|
TmM2 1/4 .1677 .8517 .004 .0149 |
|
CaM2 1/4 .1677 .8517 .596 .0149 |
|
NdM3 3/4 .6609 .6448 .203 .0102 |
|
CeM3 3/4 .6609 .6448 .145 .0102 |
|
SmM3 3/4 .6609 .6448 .075 .0102 |
|
GdM3 3/4 .6609 .6448 .063 .0102 |
|
YM3 3/4 .6609 .6448 .059 .0102 |
|
PrM3 3/4 .6609 .6448 .034 .0102 |
|
LaM3 3/4 .6609 .6448 .032 .0102 |
|
DyM3 3/4 .6609 .6448 .016 .0102 |
|
TmM3 3/4 .6609 .6448 .007 .0102 |
|
CaM3 3/4 .6609 .6448 .367 .0102 |
|
NdM4 3/4 .8440 .1445 .321 .0082 |
|
CeM4 3/4 .8440 .1445 .229 .0082 |
|
SmM4 3/4 .8440 .1445 .118 .0082 |
|
GdM4 3/4 .8440 .1445 .100 .0082 |
|
YM4 3/4 .8440 .1445 .093 .0082 |
|
PrM4 3/4 .8440 .1445 .054 .0082 |
|
LaM4 3/4 .8440 .1445 .050 .0082 |
|
DyM4 3/4 .8440 .1445 .025 .0082 |
|
TmM4 3/4 .8440 .1445 .011 .0082 |
|
C1 3/4 .191 .177 .017 |
|
C2 3/4 .312 .699 .017 |
|
C3 1/4 .817 .805 .007 |
|
C4 1/4 .687 .314 .011 |
|
O11 3/4 .325 .272 .012 |
|
O12 3/4 .194 .790 .008 |
|
O13 1/4 .695 .705 .033 |
|
O14 1/4 .831 .241 .028 |
|
O21 .529 .125 .143 .015 |
|
O22 .520 .383 .649 .018 |
|
O23 .480 .885 .847 .023 |
|
O24 .473 .622 .353 .021 |
|
O31 1/4 .412 .036 .023 |
|
O32 1/4 .082 .526 .016 |
|
O33 3/4 .590 .981 .020 |
|
O34 3/4 .899 .463 .015 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Dinite |
|
Franzini L, Pasero M, Perchiazzi N |
| |
European Journal of Mineralogy 3 (1991) 855-861 |
|
Re-discovery and re-definition of dinite, C20H36, |
|
a forgotten organic mineral from Garfagnana, northern Tuscany, Italy |
|
Locality: Garfagnana, northern Tuscany, Italy |
|
_database_code_amcsd 0006432 |
|
12.356 12.762 11.427 90 90 90 P2_12_12_1 |
|
atom x y z Uiso |
|
C1 .0801 .6792 .2410 .05 |
|
C2 .1657 .6988 .3341 .064 |
|
C3 .3429 .6572 .4333 .059 |
|
C4 .4456 .5917 .4316 .057 |
|
C5 .6155 .5462 .3087 .057 |
|
C6 .6582 .5509 .1834 .093 |
|
C7 .5835 .4998 .0932 .106 |
|
C8 .4703 .5498 .0960 .088 |
|
C9 .2321 .5929 .1233 .068 |
|
C10 .1384 .6733 .1233 .062 |
|
C11 .2622 .6238 .3397 .05 |
|
C12 .4970 .5886 .3103 .05 |
|
C13 .4176 .5467 .2179 .057 |
|
C14 .3157 .6177 .2192 .048 |
|
C15 -.0000 .7724 .2448 .088 |
|
C16 -.0946 .7672 .1610 .092 |
|
C17 .0188 .5760 .2661 .082 |
|
C18 .6874 .6174 .3831 .080 |
|
C19 .6271 .4359 .3640 .095 |
|
C20 .3800 .4282 .2431 .093 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Uranopolycrase |
|
Aurisicchio C, Orlandi P, Pasero M, Perchiazzi N |
| |
European Journal of Mineralogy 5 (1993) 1161-1165 |
|
Uranopolycrase, the uranium-dominant analogue of polycrase-(Y), |
|
a new mineral from Elba Island, Italy, and its crystal structure |
|
Locality: Elba Island, Italy |
|
_database_code_amcsd 0006507 |
|
14.51 5.558 5.173 90 90 90 Pbcn |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U 0 .2266 .25 .62 1.08 .013 .016 .012 0 0 0 |
|
Y 0 .2266 .25 .29 1.08 .013 .016 .012 0 0 0 |
|
Th 0 .2266 .25 .07 1.08 .013 .016 .012 0 0 0 |
|
Mn 0 .2266 .25 .03 1.08 .013 .016 .012 0 0 0 |
|
Ca 0 .2266 .25 .02 1.08 .013 .016 .012 0 0 0 |
|
Nd 0 .2266 .25 .01 1.08 .013 .016 .012 0 0 0 |
|
Ti .1690 .3222 .8152 .73 .63 .009 .005 .010 .001 .001 -.001 |
|
Nb .1690 .3222 .8152 .18 .63 .009 .005 .010 .001 .001 -.001 |
|
Ta .1690 .3222 .8152 .06 .63 .009 .005 .010 .001 .001 -.001 |
|
O1 .092 .433 .526 .2 |
|
O2 .084 .096 .916 .8 |
|
O3 .257 .135 .647 .5 |
|
|
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|
| |
|
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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|
| |
|
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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|
| |
|
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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|
| |
|
Graulichite-(Ce) |
| |
Hatert F, Lefevre P, Pasero M, Fransolet A-M |
| |
European Journal of Mineralogy 15 (2003) 733-739 |
|
Gaulichite-(Ce), a new arsenate mineral from the Stavelot Massif, Belgium |
|
Locality: Stavelot Massif, Belgium |
|
_database_code_amcsd 0007016 |
|
7.288 7.288 16.812 90 90 120 R-3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ce 0 0 0 .0269 .034 .034 .012 .0171 0 0 |
|
Fe .5 .5 .5 .830 .0158 .020 .020 .010 .011 .0012 -.0012 |
|
Al .5 .5 .5 .170 .0158 .020 .020 .010 .011 .0012 -.0012 |
|
As 0 0 .3168 .924 .0174 .021 .021 .011 .0104 0 0 |
|
O1 0 0 .416 .024 .027 .027 .017 .014 0 0 |
|
O2 .2076 -.2076 -.0512 .027 .032 .032 .021 .019 -.001 .001 |
|
OH .1244 -.1244 .1328 .026 .020 .020 .037 .010 .003 -.003 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Gramaccioliite-(Y) |
| |
Orlandi P, Pasero M, Rotiroti N, Olmi F, Demartin F, Moelo Y |
| |
European Journal of Mineralogy 16 (2004) 171-175 |
|
Gramaccioliite-(Y), a new mineral of the crichtonite group from Stura Valley, Piedmont, Italy |
|
Locality: the gneiss of the Hercynian Massif of Argentera at Sambuco, Italy |
|
_database_code_amcsd 0007033 |
|
9.186 9.186 9.186 68.82 68.82 68.82 R-3 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb0 0 0 0 .60 .0319 .0283 .0283 .0283 -.0035 -.0035 -.0035 |
|
Sr0 0 0 0 .30 .0319 .0283 .0283 .0283 -.0035 -.0035 -.0035 |
|
Y1 .5 .5 .5 .48 .0084 .0092 .0092 .0092 -.0033 -.0033 -.0033 |
|
Mn1 .5 .5 .5 .34 .0084 .0092 .0092 .0092 -.0033 -.0033 -.0033 |
|
Ce1 .5 .5 .5 .12 .0084 .0092 .0092 .0092 -.0033 -.0033 -.0033 |
|
U1 .5 .5 .5 .06 .0084 .0092 .0092 .0092 -.0033 -.0033 -.0033 |
|
Fe2 .3096 .3096 .3096 .0120 .0116 .0116 .0116 -.0027 -.0027 -.0027 |
|
Fe3 .3483 .1260 .0204 .0128 .0130 .0140 .0136 -.0035 -.0040 -.0058 |
|
Ti4 .3088 .7192 .1480 .0109 .0119 .0106 .0108 -.0035 -.0012 -.0048 |
|
Ti5 .4738 .0807 .6423 .0110 .0096 .0122 .0126 -.0038 -.0020 -.0047 |
|
O1 .302 .629 .377 .014 |
|
O2 .150 .238 .937 .011 |
|
O3 .919 .461 .302 .009 |
|
O4 .144 .515 .991 .009 |
|
O5 .386 .487 .137 .007 |
|
O6 .705 .242 .070 .011 |
|
O7 .2149 .2149 .2149 .012 |
|
|
| Download AMC data (View Text File)
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|
| |
|
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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|
| |
|
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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|
| |
|
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 |
|
|
| Download AMC data (View Text File)
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Pumpellyite-(Al) |
| |
Hatert F, Pasero M, Perchiazzi N, Theye T |
| |
European Journal of Mineralogy 19 (2007) 247-253 |
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Pumpellyite-(Al), a new mineral from Bertrix, Belgian Ardennes |
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Locality: Bertrix, Ardennes mountains, Belgium |
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_database_code_amcsd 0007217 |
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8.818 5.898 19.126 90 97.26 90 A2/m |
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atom x y z occ Uiso |
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Ca1 .2501 .5 .3397 .041 |
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Ca2 .1903 .5 .1547 .041 |
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AlM1 .5 .25 .25 .75 .034 |
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FeM1 .5 .25 .25 .125 .034 |
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MgM1 .5 .25 .25 .125 .034 |
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AlM2 .2543 .2485 .4963 .025 |
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Si1 .0556 0 .0934 .034 |
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Si2 .1711 0 .2477 .034 |
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Si3 .4627 0 .4042 .034 |
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O1 .1415 .2230 .0703 .047 |
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O2 .2793 .2265 .2452 .047 |
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O3 .3701 .2286 .4171 .047 |
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O4 .1243 .5 .4408 .047 |
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O5 .1256 0 .4590 .047 |
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O6 .3662 .5 .0478 .047 |
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O7 .3706 0 .0315 .047 |
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O8 .0389 0 .1776 .047 |
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O9 .4830 .5 .1755 .047 |
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O10 .0658 0 .3129 .047 |
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O11 .5097 .5 .3188 .047 |
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Aenigmatite |
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Grew E S, Halenius U, Pasero M |
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European Journal of Mineralogy 20 (2008) 983-991 |
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The crystal-chemistry of aenigmatite revisited: electron microprobe data, |
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structure refinement and Mossbauer spectroscopy of aenigmatite from |
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Vesteroya (Norway) |
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Locality: Vesteroya, Vestfold District, Norway |
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_database_code_amcsd 0007269 |
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10.415 10.840 8.931 105.107 96.610 125.398 P-1 |
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atom x y z occ Uiso |
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FeM1 0 0 .5 .00788 |
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FeM2 0 .5 0 .00790 |
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FeM3 .32100 .85316 .17684 .949 .00732 |
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FeM4 .76577 .82055 .15127 .877 .00677 |
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FeM5 .09622 .93948 .05297 .882 .00740 |
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FeM6 .59583 .94325 .06572 .965 .00687 |
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FeT3 .79167 .34360 .24188 .086 .0059 |
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MgM4 .76577 .82055 .15127 .123 .00677 |
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MgM3 .32100 .85316 .17684 .051 .00732 |
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MgM5 .09622 .93948 .05297 .118 .00740 |
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MgM6 .59583 .94325 .06572 .035 .00687 |
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TiM7 .99649 .74316 .25764 .00584 |
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NaM8 .20982 .63099 .39116 .871 .0118 |
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CaM8 .20982 .63099 .39116 .129 .0118 |
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NaM9 .66075 .61166 .37378 .0160 |
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SiT1 .47651 .23427 .33141 .00628 |
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SiT2 .98632 .23643 .34634 .00551 |
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SiT3 .79167 .34360 .24188 .914 .0059 |
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SiT4 .27703 .33817 .22484 .00614 |
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SiT5 .64809 .94508 .44428 .00533 |
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SiT6 .35360 .55930 .04950 .00552 |
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O1 .3546 .0653 .1620 .0091 |
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O2 .8616 .0681 .1803 .0082 |
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O3 .5570 .9564 .2950 .0093 |
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O4 .0150 .9252 .2666 .0087 |
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O5 .2376 .8759 .3950 .0082 |
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O6 .7530 .8832 .3913 .0081 |
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O7 .4933 .1950 .4967 .0097 |
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O8 .9576 .7761 .4848 .0089 |
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O9 .9018 .3253 .3739 .0101 |
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O10 .4034 .3381 .3533 .0111 |
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O11 .6653 .1750 .0726 .0096 |
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O12 .1562 .1684 .0619 .0080 |
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O13 .5248 .7108 .0391 .0086 |
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O14 .0652 .7333 .0748 .0093 |
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O15 .2438 .6102 .1151 .0082 |
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O16 .7524 .6030 .1272 .0080 |
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O17 .3998 .5001 .1866 .0084 |
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O18 .9363 .5149 .2256 .0107 |
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O19 .1651 .3662 .3193 .0101 |
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O20 .6744 .3651 .3395 .0106 |
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Brochantite |
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Mills S J, Kampf A R, Pasero M, Merlino S |
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European Journal of Mineralogy 22 (2010) 453-457 |
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Discreditation of ''orthobrochantite'' (IMA 78-64) as the MDO1 polytype |
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of brochantite |
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Note: This is the MDO1 polytype of brochanite, that used to be called orthobrochantite |
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Locality: Douglas Hill mine, Yerington, Nevada, USA |
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_database_code_amcsd 0018378 |
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13.1117 9.8654 6.0307 90 103.255 90 P2_1/a |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu1 .38150 .74087 .3167 .0077 .0108 .0072 .0054 -.0021 .0027 .0001 |
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Cu2 .20272 .50997 .4761 .0095 .0117 .0091 .0075 -.0016 .0020 -.0007 |
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Cu3 .20549 .50995 -.0217 .0082 .0095 .0077 .0077 -.0011 .0026 .0002 |
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Cu4 .38001 .74252 .8146 .0085 .0123 .0081 .0054 -.0020 .0028 -.0010 |
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S1 .1128 .8028 .1819 .0150 .0172 .0099 .0181 -.0008 .0046 .0010 |
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O1 .4152 .8671 .5827 .0097 .012 .012 .006 .000 .004 .001 |
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O2 .3444 .6181 .5506 .0126 .012 .012 .012 -.006 -.001 -.004 |
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O3 .1368 .6048 .6938 .0194 .025 .035 .003 -.012 .011 -.005 |
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O4 .2587 .4011 .2561 .026 .020 .048 .012 -.018 .008 -.005 |
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O5 .3413 .6170 .0435 .0059 .007 .007 .005 .001 .004 .003 |
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O6 .4087 .8678 .0800 .0075 .012 .008 .004 -.002 .004 .001 |
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O7 .2228 .8594 .2394 .030 .020 .054 .016 .016 .002 .005 |
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O8 .5577 .6496 .3665 .029 .011 .016 .058 .001 .005 .008 |
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O9 .1185 .6500 .1867 .029 .035 .015 .032 -.010 .001 .001 |
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O10 .5583 .6507 .9457 .031 .009 .016 .062 .000 -.003 -.006 |
|
|
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Stronadelphite |
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Pekov I V, Britvin S N, Zubkova N V, Pushcharovsky D Y, Pasero M, Merlino S |
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European Journal of Mineralogy 22 (2010) 869-874 |
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Stronadelphite, Sr5(PO4)3F, a new apatite-group mineral |
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Locality: Belovitovoye pegmatite, Kirovskii apatite mine at Mt. Kukisvumchorr, |
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in the southern part of the Khibiny alkaline complex, Kola peninsula, Russia |
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_database_code_amcsd 0017880 |
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9.845 9.845 7.383 90 90 120 P6_3/m |
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atom x y z occ Uiso |
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SrM1 1/3 2/3 -.0004 .9 .0206 |
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CaM1 1/3 2/3 -.0004 .1 .0206 |
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SrM2 .2393 -.0147 .25 .0208 |
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P .4005 .3689 .25 .0165 |
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O1 .3326 .4826 .25 .018 |
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O2 .5804 .4640 .25 .028 |
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O3 .3455 .2637 .0797 .028 |
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F 0 0 .25 .074 |
|
|
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Sursassite |
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Mellini M, Merlino S, Pasero M |
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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 |
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H2' .1854 .25 -.0470 .5 |
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H3 .4423 .25 .2992 .5 |
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H3' .3401 .25 .1842 .5 |
|
|
| Download AMC data (View Text File)
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| |
|
Microsommite |
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Bonaccorsi E, Merlino S, Pasero M, Macedonio G |
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Physics and Chemistry of Minerals 28 (2001) 509-522 |
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Microsommite: crystal chemistry, phase transitions, |
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Ising model and Monte Carlo simulations |
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_database_code_amcsd 0008599 |
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22.161 22.161 5.358 90 90 120 P6_3 |
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atom x y z occ Uiso |
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K1 .7777 .3350 .8269 .56 .0476 |
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Na1 .7777 .3350 .8269 .44 .0476 |
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K2 .1084 .1100 .329 .56 .032 |
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Na2 .1536 .1559 .331 .44 .014 |
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Na1 .8199 .4890 .329 .0391 |
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Ca -.00090 .33227 .2735 .012 |
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S1 2/3 1/3 .328 .053 |
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OA1 .638 .312 .008 .2 .092 |
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OA1b .640 .366 .55 .133 .092 |
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OB1 .608 .333 .444 .6 .092 |
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OB1b .611 .334 .194 .4 .092 |
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S2 0 0 .324 .5 .024 |
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OA2 .052 .019 .05 .167 .064 |
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OB2a .056 .057 .253 .28 .064 |
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OB2b .064 .038 .523 .22 .064 |
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Al1 .90969 .15941 .3055 .0052 |
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Al2 .91586 .42223 .3048 .0069 |
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Al3 .82743 .58464 .8068 .0074 |
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Si1 .83011 .25078 .3090 .0085 |
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Si2 .91379 .49794 .8026 .0054 |
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Si3 .91813 .75445 .8043 .0048 |
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Cl1 .0203 .3471 .785 1/3 .040 |
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Cl2 -.0004 .3423 .770 1/3 .040 |
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Cl3 .0026 .3191 .772 1/3 .040 |
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O1 .8790 .5479 .7677 .0112 |
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O2 .0013 .7873 .774 .016 |
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O3 .8788 .3319 .2706 .016 |
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O4 .8887 .6723 .797 .013 |
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O5 -.0037 .5515 .798 .014 |
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O6 .8837 .2216 .299 .016 |
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O7 .7739 .2206 .083 .020 |
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O8 .8863 .4430 .5762 .017 |
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O9 .8926 .1128 .582 .010 |
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O10 .8879 .4551 .062 .012 |
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O11 .8784 .0975 .067 .013 |
|
O12 .7860 .2318 .562 .015 |
|
|
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| |
|
Krinovite |
|
Bonaccorsi E, Merlino S, Pasero M |
|
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 |
|
_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 |
|
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 |
|
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 |
|
O17 .4012 .5035 .1899 .0054 |
|
O18 .9364 .5062 .2147 .0056 |
|
O19 .1623 .3663 .3180 .0059 |
|
O20 .6708 .3640 .3339 .0060 |
|
|
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Lintisite |
|
Merlino S, Pasero M |
|
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) |
|
Locality: Lovozero, Kola Peninsula, Russia |
|
_database_code_amcsd 0010998 |
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28.583 8.600 5.219 90 91.03 90 C2/c |
|
atom x y z Uiso |
|
Na1 .16517 .1872 .1161 .0155 |
|
Na2 0 .3483 .75 .0244 |
|
Li 0 .0111 .25 .0162 |
|
Ti .16503 .4050 .6243 .0051 |
|
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 |
|
O7 .20683 .4164 .2883 .0069 |
|
O8 .04486 .3969 .1178 .0268 |
|
H1 .0449 .334 .201 .045 |
|
H2 .0736 .415 .101 .066 |
|
|
| Download AMC data (View Text File)
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Moraesite |
|
Merlino S, Pasero M |
|
Zeitschrift fur Kristallographie 201 (1992) 253-262 |
|
Crystal chemistry of beryllophosphates: The crystal structure of moraesite, Be2(PO4)(OH)*4H2O |
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Locality: Humaita, Brazil |
|
_database_code_amcsd 0011025 |
|
8.553 12.319 7.155 90 97.93 90 C2/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Be .623 .625 .624 .024 .038 .0287 .0065 .0040 .0073 .0027 |
|
P .5 .5753 .25 .014 .0143 .0132 .0141 0 .0012 0 |
|
O1 .623 .5064 .176 .017 .0105 .0212 .0189 .0056 .0029 .0018 |
|
O2 .578 .6517 .404 .027 .0331 .0232 .0242 -.0086 .0069 .0035 |
|
OH4 .5 .685 .75 .037 .046 .0277 .0402 0 .0160 0 |
|
Wat3 .805 .6624 .696 .038 .0319 .0367 .0423 -.0106 -.0012 -.0023 |
|
Wat5 .398 .091 .052 .060 .0506 .0704 .0581 -.0004 .0026 .0216 |
|
|
| Download AMC data (View Text File)
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|
| |
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Kukisvumite |
|
Merlino S, Pasero M, Ferro O |
|
Zeitschrift fur Kristallographie 215 (2000) 352-356 |
|
The crystal structure of kukisvumite, Na6ZnTi4(Si2O6)4O4*4H2O |
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Locality: Kukisvumtschorr deposit, Khibiny alkaline massif, Kola peninsula, Russia |
|
_database_code_amcsd 0011086 |
|
29.029 8.595 5.209 90 90 90 Pccn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na1 .5840 .0615 .623 .015 .020 .012 .013 -.001 -.001 -.001 |
|
Na2 .7500 .591 .786 .5 .031 .030 .042 .022 -.009 .007 -.001 |
|
Zn .75 .25 .791 .5 .024 .024 .025 .022 .001 0 0 |
|
Ti .5830 .8450 .1322 .0055 .008 .005 .004 .001 .000 .001 |
|
Si1 .4863 .8418 .7887 .005 .004 .005 .006 .002 .000 -.001 |
|
Si2 .6557 .1484 .0514 .007 .006 .007 .008 .001 -.001 .000 |
|
O1 .4652 .763 .050 .009 .004 .011 .010 -.003 -.003 .003 |
|
O2 .4641 .011 .754 .007 .008 .003 .012 .002 -.005 -.003 |
|
O3 .6223 .000 .006 .009 .006 .013 .009 .001 .005 .001 |
|
O4 .7917 .108 .539 .022 .007 .009 .050 .006 .002 -.001 |
|
O5 .8879 .820 .939 .006 .004 .007 .006 -.002 .000 .001 |
|
O6 .6398 .274 .825 .011 .010 .009 .014 .002 .001 .009 |
|
O7 .5420 .833 .793 .007 .006 .006 .008 -.005 .002 -.001 |
|
Ow1 .7922 .851 .934 .5 .016 .004 .023 .021 -.007 .003 .008 |
|
Ow2 .7965 .849 .128 .5 .025 .009 .039 .027 .003 -.005 -.017 |
|
H1 .792 .93 .80 .5 .05 |
|
H2 .825 .81 .94 .5 .05 |
|
H3 .797 .95 .24 .5 .05 |
|
H4 .828 .85 .04 .5 .05 |
|
|
| Download AMC data (View Text File)
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|
| |
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Seidozerite |
|
Pushcharovskii D Yu, Pasero M, Merlino S, Vladykin N V, Zubkova N V, |
|
Gobechiya E R |
| |
Crystallography Reports 47 (2002) 196-200 |
|
Crystal structure of zirconium-rich seidozerite |
|
Locality: Burpala alkaline massif, Russia |
|
_database_code_amcsd 0012377 |
|
5.627 7.134 18.590 90 102.68 90 P2/c |
|
atom x y z occ Uiso |
|
Na1 .2051 .6157 .0695 .965 .0113 |
|
Ca1 .2051 .6157 .0695 .035 .0113 |
|
Na2 0 .6149 .25 .86 .0218 |
|
Ca2 0 .6149 .25 .14 .0218 |
|
Ca .5 .8656 .25 .340 .0332 |
|
Mn .5 .8656 .25 .270 .0332 |
|
Na .5 .8656 .25 .160 .0332 |
|
Zr1 .2004 .1193 .07342 .8 .0097 |
|
Ti1 .2004 .1193 .07342 .2 .0097 |
|
Ti2 0 .1153 .25 .70 .0114 |
|
Zr2 0 .1153 .25 .25 .0114 |
|
Mn3 .5 .3566 .25 .58 .0174 |
|
Na3 .5 .3566 .25 .25 .0174 |
|
Ti3 .5 .3566 .25 .05 .0174 |
|
Si1 .7273 .3872 .1046 .0100 |
|
Si2 .7217 .8422 .1049 .0099 |
|
O1 .738 .6135 .1096 .023 |
|
O2 .451 .3264 .0680 .021 |
|
O3 .440 .9015 .0763 .020 |
|
O4 .927 .3267 .0586 .016 |
|
O5 .904 .9073 .0518 .014 |
|
O6 .797 .3154 .1900 .016 |
|
O7 .817 .9141 .1888 .017 |
|
O8 .240 .124 .1849 .019 |
|
F .301 .600 .1922 .039 |
|
|
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| |
|
Calciohilairite |
|
Pushcharovsky D Y, Pekov I V, Pasero M, Gobechiya E R, Merlino S, Zubkova N V |
| |
Crystallography Reports 47 (2002) 748-752 |
|
Crystal structure of cation-deficient calciohilairite and possible mechanisms of |
|
decationization in mixed-framework minerals |
|
Locality: Lovozero massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012381 |
|
10.498 10.498 7.975 90 90 120 R32 |
|
atom x y z occ Uiso |
|
CaA1 0 0 .615 1/6 .096 |
|
NaA1 0 0 .615 1/6 .096 |
|
WatA2 0 .201 .5 2/3 .148 |
|
H3OA2 0 .201 .5 1/3 .148 |
|
Zr 0 0 0 .0161 |
|
Si .4141 .4141 .5 .0190 |
|
O1 .0951 .1860 .8488 .0255 |
|
O2 .6475 0 0 .038 |
|
|
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|
| |
|
Paralaurionite |
|
Merlino S, Pasero M, Perchialli N |
|
Mineralogical Magazine 57 (1993) 323-328 |
|
Crystal structure of paralaurionite and its OD relationships with laurionite |
|
_database_code_amcsd 0014500 |
|
10.865 4.006 7.233 90 117.24 90 C2/m |
|
atom x y z Biso |
|
Pb .1719 0 .2408 .81 |
|
Cl .4332 0 .191 1.7 |
|
O .198 0 .591 1.2 |
|
H .108 0 .590 |
|
|
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|
| |
|
Fiedlerite |
|
Merlino S, Pasero M, Perchiazzi N |
|
Mineralogical Magazine 58 (1994) 69-78 |
|
Fiedlerite: revised chemical formula |
|
[Pb3Cl4F(OH)*H2O], OD description and crystal |
|
structure refinement of the two MDO polytypes |
|
Locality: Baratti, Italy |
|
Note: 1A polytype |
|
_database_code_amcsd 0014504 |
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8.574 8.045 7.276 89.96 102.05 103.45 P-1 |
|
atom x y z Biso |
|
Pb1 .3700 .2145 .3251 1.28 |
|
Pb2 .8954 .3521 .2727 1.08 |
|
Pb3 .9011 .8463 .2595 1.09 |
|
Cl1 .192 .421 .083 1.4 |
|
Cl2 .345 .459 .634 1.5 |
|
Cl3 .195 .923 .090 1.4 |
|
Cl4 .349 .966 .636 1.7 |
|
F .931 .857 .611 1.3 |
|
OH .947 .361 .613 0.6 |
|
Wat .505 .753 .995 1.8 |
|
|
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|
| |
|
Fiedlerite |
|
Merlino S, Pasero M, Perchiazzi N |
|
Mineralogical Magazine 58 (1994) 69-78 |
|
Fiedlerite: revised chemical formula Pb3Cl4F(OH)*(H2O), OD |
|
description and crystal structure refinement of the two MDO polytypes |
|
Note: 2M_1 polytype |
|
Locality: Laurion, Greece |
|
_database_code_amcsd 0014505 |
|
16.681 8.043 7.281 90 102.56 90 P2_1/a |
|
atom x y z Biso |
|
Pb1 .1848 .1259 .3252 1.10 |
|
Pb2 .4473 .122 .2741 1.13 |
|
Pb3 .4510 .630 .2584 1.07 |
|
Cl1 .0955 .362 .082 1.3 |
|
Cl2 .1725 .363 .637 1.3 |
|
Cl3 .0982 .862 .092 1.1 |
|
Cl4 .1748 .868 .634 1.5 |
|
F .467 .609 .612 0.6 |
|
OH .472 .105 .613 0.9 |
|
Wat .247 .610 .987 2.7 |
|
|
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|
| |
|
Penfieldite |
|
Merlino S, Pasero M, Perchiazzi N, Gianfagna A |
|
Mineralogical Magazine 59 (1995) 341-347 |
|
X-ray and electron diffraction study of penfieldite: |
|
average structure and multiple cells |
|
Locality: Etruscan iron slag, Baratti beach, Piombiono, Tuscany, Italy |
|
_database_code_amcsd 0014517 |
|
11.393 11.393 4.024 90 90 120 P-6 |
|
atom x y z Biso |
|
Pb1 .6221 .5386 .5 1.21 |
|
Pb2 .1743 .2739 0 1.15 |
|
Cl1 .8564 .8059 .5 .9 |
|
Cl2 .8272 .5324 0 1.4 |
|
Cl3 .3212 .4683 .5 1.3 |
|
OH .590 .652 0 1.0 |
|
|
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|
| |
|
Matlockite |
|
Pasero M, Perchiazzi N |
|
Mineralogical Magazine 60 (1996) 833-836 |
|
Crystal structure refinement of matlockite |
|
Locality: Baratti beach, Tuscany, Italy |
|
_database_code_amcsd 0014521 |
|
4.110 4.110 7.246 90 90 90 *P4/nmm |
|
.25 -.25 0 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb .25 .25 .2058 .0070 .0070 .0070 0 0 0 |
|
F .25 .75 0 .005 .005 .005 0 0 0 |
|
Cl .25 .25 .6497 .012 .012 .008 0 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Georgiadesite |
|
Pasero M, Vacchiano D |
|
Mineralogical Magazine 64 (2000) 879-884 |
|
Crystal structure and revision of the chemical formula of georgiadesite, |
|
Pb4(AsO3)Cl4(OH) |
|
Locality: Laurion, Attica, Greece |
|
_database_code_amcsd 0014543 |
|
13.765 7.896 10.804 90 102.57 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) |
|
Pb1 .5853 .2214 .8688 .032 .040 .037 .001 .006 .001 |
|
Pb2 .8126 .0978 .6502 .044 .042 .034 .001 .007 .007 |
|
Pb3 .0556 .2422 .4831 .038 .039 .038 .003 .007 .001 |
|
Pb4 .3346 .2428 .5552 .034 .042 .041 .004 .005 .002 |
|
As .8001 .048 .3459 .036 .031 .036 .007 .009 .008 |
|
Cl1 .212 .556 .557 .04 .04 .06 .01 .013 .00 |
|
Cl2 1.003 -.060 .781 .04 .10 .04 .01 .010 .00 |
|
Cl3 .420 .442 .844 .04 .07 .05 .00 .007 .01 |
|
Cl4 .593 .099 1.129 .07 .07 .03 .02 .010 .00 |
|
O1 .695 .060 .436 .015 |
|
O2 .901 .055 .486 .03 |
|
O3 .792 -.173 .347 .03 |
|
O4 .200 .201 .390 .04 |
|
H .192 .267 .313 |
|
|
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|
| |
|
Sahlinite |
|
Bonaccorsi E, Pasero M |
|
Mineralogical Magazine 67 (2003) 15-21 |
|
Crystal structure refinement of sahlinite, Pb14(AsO4)2O9Cl4 |
|
Locality: Langban, Sweden |
|
_database_code_amcsd 0014564 |
|
12.704 22.576 11.287 90 118.37 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .11429 .08398 .18224 .0211 .0072 .0191 -.0005 .0136 -.0007 |
|
Pb2 .36895 .08654 .07549 .0213 .0108 .0213 -.0001 .0139 -.0018 |
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Pb3 .12639 .42056 .45084 .0228 .0114 .0193 .0021 .0133 .0022 |
|
Pb4 .37823 .41754 .30760 .0239 .0121 .0184 .0039 .0142 .0014 |
|
Pb5 .35314 .19520 .29905 .0253 .0084 .0217 -.0033 .0157 -.0023 |
|
Pb6 .12256 .19867 .42339 .0235 .0098 .0217 -.0042 .0157 -.0041 |
|
Pb7 .39927 .30312 .06056 .0214 .0082 .0194 .0006 .0130 .0021 |
|
As .1364 .32136 .1776 .0241 .0151 .0206 .0011 .0142 -.0012 |
|
Cl1 .3739 .5000 .0623 .028 .025 .023 -.007 .017 -.003 |
|
Cl2 .3798 .0144 .3088 .022 .026 .025 .002 .015 .000 |
|
O1 .236 .1435 .111 .023 .008 .015 .001 .010 .002 |
|
O2 .255 .1373 .381 .023 .013 .014 -.006 .014 -.004 |
|
O3 .473 .3575 .486 .033 .020 .014 .003 .016 .000 |
|
O4 .013 .3531 .047 .021 .023 .033 .002 .009 .002 |
|
O5 .252 .3396 .145 .028 .029 .032 -.005 .026 -.004 |
|
O6 0 .1456 .250 .023 .005 .015 0 .011 0 |
|
O7 .5 .1429 .250 .020 .014 .020 0 .011 0 |
|
O8 .5 .3674 .250 .028 .014 .020 0 .020 0 |
|
O9 .174 .3515 .329 .046 .030 .029 .002 .023 -.012 |
|
O10 .122 .2490 .181 .054 .010 .031 -.004 .029 -.002 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Sardignaite |
| |
Orlandi P, Pasero M, Bigi S |
| |
Mineralogy and Petrology 100 (2010) 17-22 |
|
Sardignaite, a new mineral, the second known bismuth molybdate: |
|
description and crystal structure |
|
Locality: Su Senargiu, near Sarroch, Sardegna, Italy |
|
_database_code_amcsd 0017091 |
|
5.7797 11.567 6.3344 90 113.360 90 P2_1/m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi .15761 .75 .26334 .0238 .0264 .0217 .0212 0 .0074 0 |
|
Mo .6926 .59567 .6545 .0200 .0206 .0162 .0201 .0002 .0050 -.0009 |
|
O1 .886 .6153 .511 .032 .033 .028 .036 .001 .016 .002 |
|
O2 .886 .6187 .937 .030 .031 .026 .025 .000 .002 -.001 |
|
O3 .656 .4333 .634 .0225 .024 .017 .023 -.000 .006 -.001 |
|
O4 .531 .75 .592 .022 .027 .016 .022 0 .008 0 |
|
O5 .381 .75 .075 .038 .046 .046 .031 0 .025 0 |
|
O6 .400 .5737 .825 .026 .031 .023 .024 -.001 .010 -.001 |
|
|
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|
| |
|
Panunzite |
|
Merlino S, Franco E, Mattia C A, Pasero M, De Gennaro M |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1985 (1985) 322-328 |
|
The crystal structure of panunzite (natural tetrakalsilite) |
|
Locality: Somma-Vesuvius area, Italy |
|
Note: x(O7) and y(O11) adjusted to match reported bond lengths |
|
_database_code_amcsd 0014796 |
|
20.4960 20.4960 8.549 90 90 120 P6_3 |
|
atom x y z occ Biso |
|
Na -.0196 .2578 .7377 1.19 |
|
K1 .5028 .2698 .2405 .88 1.21 |
|
Na1 .5028 .2698 .2405 .12 1.21 |
|
K2 -.0041 .4759 .2395 .78 .98 |
|
Na2 -.0041 .4759 .2395 .22 .98 |
|
K3 .2388 .4965 .2453 1.36 |
|
K4 .2423 .0286 .2451 .83 1.62 |
|
Na4 .2423 .0286 .2451 .17 1.62 |
|
K5 0 0 .75 1.56 |
|
Al1 .0376 .1598 .5666 .66 |
|
Al2 .3282 .1903 .5593 .59 |
|
Al3 .3041 .4052 .5583 .55 |
|
Al4 .5899 .4272 .5567 .69 |
|
Al5 .0673 .4212 .5569 .58 |
|
Al6 1/3 2/3 .5541 .42 |
|
Si1 .1593 .1223 .4318 .56 |
|
Si2 .1380 .3281 .4394 .69 |
|
Si3 .4046 .1015 .4380 .77 |
|
Si4 .1629 .5892 .4427 .56 |
|
Si5 .4208 .3529 .4359 .75 |
|
Si6 2/3 1/3 .4475 .55 |
|
O1 .1436 .1403 .2534 .75 |
|
O2 .1198 .3173 .2532 1.59 |
|
O3 .4013 .1187 .2518 1.82 |
|
O4 .1510 .5755 .2528 1.77 |
|
O5 .4004 .3518 .2548 1.65 |
|
O6 2/3 1/3 .2530 1.57 |
|
O7 .1403 .4048 .4956 .27 |
|
O8 .1082 .1352 .5542 1.06 |
|
O9 .3432 .1140 .5284 1.04 |
|
O10 .4067 .2715 .4830 1.73 |
|
O11 -.0140 .3660 .4458 .95 |
|
O12 .4892 .1572 .4930 .46 |
|
O13 .1385 .0328 .4365 1.93 |
|
O14 .3355 .4962 .4771 1.82 |
|
O15 .3710 .3787 .5364 2.04 |
|
O16 .2439 .6030 .4841 1.98 |
|
O17 .0957 .5125 .5138 .51 |
|
O18 .2501 .1814 .4557 2.20 |
|
O19 .5104 .4161 .4465 1.21 |
|
O20 .5998 .3495 .5035 .59 |
|
O21 .0735 .2545 .5236 .61 |
|
O22 .2226 .3385 .4578 1.12 |
|
|
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|
| |
|
Trikalsilite |
|
Bonaccorsi E, Merlino S, Pasero M |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 559-567 |
|
Trikalsilite: its structural relationships with nepheline and tetraskalsilite |
|
Locality: Near Mt. Nyiragongo, Virunga volcanic field, North Kivu, Zaire |
|
_database_code_amcsd 0014833 |
|
15.339 15.339 8.501 90 90 120 P6_3 |
|
atom x y z occ Biso |
|
NaM2 .3689 .0133 .75 .7 1.9 |
|
KM2 .3689 .0133 .75 .3 1.9 |
|
KM1 0 0 .7553 1.4 |
|
KM3 .2922 .3195 .7474 .7 1.5 |
|
NaM3 .2922 .3195 .7474 .3 1.5 |
|
KM4 1/3 2/3 .7371 2.6 |
|
KM5 2/3 1/3 .7601 .9 |
|
Al1 .4453 .2351 .5537 .5 |
|
Al2 .0544 .2147 .5638 1.0 |
|
Al3 .4147 .5354 .5614 .7 |
|
Si1 .1947 .4374 .4373 .5 |
|
Si2 .2196 .1593 .4361 1.1 |
|
Si3 .5663 .4572 .4425 .7 |
|
O1 .183 .432 .253 5.3 |
|
O2 .201 .184 .255 1.7 |
|
O3 .560 .453 .250 7.5 |
|
O4 .197 .542 .472 1.7 |
|
O5 .546 .348 .494 1.1 |
|
O6 .108 .343 .516 1.7 |
|
O7 .335 .227 .479 2.6 |
|
O8 .154 .190 .556 .7 |
|
O9 .173 .037 .445 1.2 |
|
O10 .305 .448 .458 1.3 |
|
O11 .458 .140 .479 1.3 |
|
O12 .493 .487 .527 3.3 |
|
|
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|
| |
|
Davyne |
|
Bonaccorsi E, Merlino S, Pasero M |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1990 (1990) 97-112 |
|
Davyne: its structural relationships with cancrinite and vishnevite |
|
Locality: Monte Somma, Vesuvius, Italy |
|
_database_code_amcsd 0014841 |
|
12.705 12.705 5.368 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) |
|
K .2217 .1136 .75 .29 .061 .0837 .0402 .0755 .0424 0 0 |
|
NaK .2217 .1136 .75 .21 .061 .0837 .0402 .0755 .0424 0 0 |
|
Na .1510 .3097 .25 .5 .052 .0344 .1044 .0381 .0504 0 0 |
|
Ca 1/3 2/3 .75 .0099 .0093 .0093 .0111 .0047 0 0 |
|
Al .0691 .4086 .75 .0062 .0052 .0057 .0082 .0030 0 0 |
|
Si .3284 .4093 .75 .0045 .0046 .0057 .0034 .0028 0 0 |
|
S 0 0 .25 1/3 .053 |
|
O1 .2145 .4307 .75 .0142 .0086 .0161 .0207 .0082 0 0 |
|
O2 .1002 .5567 .75 .0140 .0143 .0087 .0196 .0063 0 0 |
|
O3 -.0087 .3230 .0084 .0148 .0193 .0139 .0132 .0098 .0083 .0040 |
|
Cl .3150 .6372 .25 1/3 .039 .0536 .0501 .0098 .0234 0 0 |
|
OA .0400 .0200 .0200 1/18 .090 |
|
OB .0701 .1132 .3746 1/6 .090 |
|
Cl' .0490 .0400 -.0750 1/18 .156 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Molybdomenite |
|
Pasero M, Rotiroti N |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 2003 (2003) 145-152 |
|
The crystal structure of molybdomenite, PbSeO3 |
|
Locality: El Dragon mine, Potosi, Bolivia |
|
_database_code_amcsd 0014923 |
|
4.5437 5.5137 6.634 90 106.547 90 P2_1/m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb .6386 .25 .3011 .0283 .0284 .0257 0 .0109 0 |
|
Se .0847 .75 .1634 .022 .021 .021 0 .0074 0 |
|
O1 .704 .75 .124 .025 .056 .049 0 .015 0 |
|
O2 .199 .512 .338 .033 .014 .030 -.002 .007 .002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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