|
Thoreaulite |
 |
Mumme W G |
 |
American Mineralogist 55 (1970) 367-377 |
|
The crystal structure of SnTa2O7, thoreaulite, an example of tin in five-fold |
|
coordination |
|
_database_code_amcsd 0000199 |
|
17.140 4.865 5.548 90 91.0 90 C2/c |
|
atom x y z Biso |
|
Sn 0 .2300 .25 1.2 |
|
Ta .1698 .2403 .6675 .9 |
|
O1 0 .392 .75 3.6 |
|
O2 .075 .097 .599 2.6 |
|
O3 .124 .567 .427 3.6 |
|
O4 .217 .077 .342 3.5 |
|
|
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|
| |
|
Krupkaite |
|
Mumme W G |
|
American Mineralogist 60 (1975) 300-308 |
|
The crystal structure of krupkaite, CuPbBi3S6, from the Juno Mine at Tennant |
|
Creek, Northern Territory, Australia |
|
_database_code_amcsd 0000456 |
|
4.003 11.200 11.560 90 90 90 Pmc2_1 |
|
atom x y z occ Biso |
|
Bi1 0 .0629 .9851 1.74 |
|
Bi2 0 .2882 .6563 1.78 |
|
Bi3 .5 .5777 .5217 1.98 |
|
Pb .5 .7503 .8305 2.33 |
|
Cu1 0 .5465 .7650 .2 4.73 |
|
Cu2 .5 .0373 .7297 .8 3.31 |
|
S1 0 .9463 .7853 2.54 |
|
S2 .5 .1231 .5491 1.60 |
|
S3 .5 .1919 .8725 1.85 |
|
S4 .5 .4513 .7142 1.57 |
|
S5 0 .6972 .6131 1.08 |
|
S6 0 .6100 .9594 3.87 |
|
|
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|
| |
|
Junoite |
|
Mumme W G |
|
American Mineralogist 60 (1975) 548-558 |
|
Junoite, Cu2Pb3Bi8(S,Se)16, a new sulfosalt from Tennant Creek, Australia: |
|
Its crystal structure and relationship with other bismuth sulfosalts |
|
_database_code_amcsd 0000465 |
|
26.66 4.06 17.03 90 127.20 90 C2/m |
|
atom x y z occ Biso |
|
Bi1 .1486 .5 .2326 4.07 |
|
Bi2 .3102 0 .4799 3.63 |
|
Pb1 .0205 0 .2772 5.13 |
|
Bi3 .3560 0 .2682 4.25 |
|
Bi4 .3244 .5 .0249 4.11 |
|
Pb2 0 0 0 3.97 |
|
Cu .0529 0 .4869 7.15 |
|
S1 .1323 0 .1044 3.40 |
|
S2 .1557 0 .3653 3.10 |
|
S3 .2870 .5 .3451 .25 3.00 |
|
Se3 .2870 .5 .3451 .75 3.00 |
|
S4 .0759 .5 .4516 3.40 |
|
S5 .4036 0 .1659 3.30 |
|
S6 .2639 .5 .1106 3.10 |
|
S7 .4341 .5 .3644 3.70 |
|
S8 .0139 .5 .1315 .35 3.80 |
|
Se8 .0139 .5 .1315 .65 3.80 |
|
|
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|
| |
|
Proudite |
|
Mumme W G |
|
American Mineralogist 61 (1976) 839-852 |
|
Proudite from Tennant Creek, Northern Territory, Australia: Its crystal |
|
structure and relationship with weibullite and wittite |
|
_database_code_amcsd 0000526 |
|
31.960 4.120 36.690 90 109.52 90 C2/m |
|
atom x y z occ Biso |
|
Pb1 0 0 0 .5 1.30 |
|
Bi1 .0690 .5 .1017 .04 |
|
Pb2 .1324 0 .1995 .17 |
|
Bi2 .0050 .5 .1894 .45 |
|
Pb3 .0701 0 .2930 .42 |
|
Pb4 .1303 .5 .3920 .45 |
|
Bi3 .1979 .5 .3073 1.00 |
|
Bi4 .2537 0 .4043 1.02 |
|
Bi5 .1874 0 .4936 1.80 |
|
Pb5 .2351 0 .1398 1.18 |
|
Bi6 .4456 .5 .0914 .94 |
|
Pb6 .1289 .5 .0153 1.52 |
|
Pb7 .0038 0 .4134 3.40 |
|
Bi7 .2779 0 .0551 .60 |
|
Bi8 .3787 0 .3731 .73 |
|
Pb8 .3550 .5 .1806 2.00 |
|
Bi9 .4301 .5 .2956 2.84 |
|
Bi10 .2956 0 .2555 .40 4.80 |
|
Cu .1200 .5 .4650 .75 4.70 |
|
S1 .0571 .5 .4986 .50 1.29 |
|
S2 .3594 .5 .0470 .83 |
|
S3 .3173 0 .1274 .64 |
|
S4 .0915 0 .0622 .80 |
|
S5 .0381 0 .1474 .16 |
|
S6 .1532 .5 .1501 .42 |
|
S7 .1007 .5 .2561 1.01 |
|
Se8 .0417 .5 .3406 .58 |
|
Se9 .1683 0 .3528 .56 |
|
S10 .1083 0 .4323 .24 |
|
S11 .2252 .5 .4656 2.16 |
|
Se12 .3372 0 .4655 1.30 |
|
Se13 .2766 .5 .3623 .94 |
|
Se14 .2184 0 .2653 .33 |
|
S15 .4683 0 .0554 1.83 |
|
Se16 .4728 .5 .2212 .60 |
|
S17 .2175 .5 .0675 2.40 |
|
Se18 .4270 0 .1349 1.22 |
|
S19 .4185 .5 .4668 .5 .28 |
|
S20 .4579 0 .3577 .89 |
|
S21 .2549 .5 .2171 2.45 |
|
S22 .3943 0 .25 1.47 |
|
S23 .3540 .5 .3194 1.58 |
|
|
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|
| |
|
Perroudite |
|
Mumme W G, Nickel E H |
|
American Mineralogist 72 (1987) 1257-1262 |
|
Crystal structure and crystal chemistry of perroudite: |
|
A mineral from Coppin Pool, Western Australia |
|
_database_code_amcsd 0001135 |
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17.43 12.24 4.35 90 90 90 P2_12_12 |
|
atom x y z occ Uiso |
|
Hg1 0 0 .3399 .5 .0231 |
|
Hg2 .1589 .1743 .3776 .0225 |
|
Hg3 .0931 .4230 .9988 .8 .0195 |
|
Ag3 .0931 .4230 .9988 .2 .0195 |
|
Ag1 .3112 .3967 .1328 .0426 |
|
Ag2 .4213 .1853 .4229 .0665 |
|
S1 0 .5 .6441 .5 .0194 |
|
S2 .1304 -.0173 .3229 .9 .0147 |
|
Cl2 .1304 -.0173 .3229 .1 .0147 |
|
S3 .1787 .3658 .3793 .9 .0153 |
|
Cl3 .1787 .3658 .3793 .1 .0153 |
|
Cl4 .0180 .1897 .8599 .8 .0241 |
|
Br4 .0180 .1897 .8599 .2 .0241 |
|
Br5 .3135 .1694 .8781 .2 .0218 |
|
I5 .3135 .1694 .8781 .8 .0218 |
|
|
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|
| |
|
Capgaronnite |
|
Mason B, Mumme W G, Sarp H |
|
American Mineralogist 77 (1992) 197-200 |
|
Capgaronnite, HgSAg(Cl,Br,I), a new sulfide-halide mineral from Var, France |
|
_database_code_amcsd 0001444 |
|
6.803 12.87 4.528 90 90 90 P2_12_12 |
|
atom x y z occ Uiso |
|
Hg .134 .253 .464 .035 |
|
Ag .291 .044 -.010 .110 |
|
S .390 .114 .468 .038 |
|
Cl .383 .355 .031 .82 .110 |
|
Br .383 .355 .031 .18 .110 |
|
|
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|
| |
|
Kassite |
|
Grey I E, Mumme W G, Pekov I V, Pushcharovsky D Y |
|
American Mineralogist 88 (2003) 1331-1335 |
|
The crystal structure of chromian kassite from the Saranovskoye deposit, |
|
Northern Urals, Russia |
|
_database_code_amcsd 0003155 |
|
5.275 9.009 9.557 90 90.43 90 P2_1/a |
|
atom x y z Uiso |
|
Ca .0063 .4821 .2505 .0244 |
|
Ti1 .0056 .1605 .4927 .0229 |
|
Ti2 .0010 .1815 .9920 .0239 |
|
O1 .380 .4973 .3866 .023 |
|
O1a .885 .9971 .8784 .024 |
|
O2 .683 .8167 .1211 .023 |
|
O2a .189 .3144 .6238 .024 |
|
O3 .807 .3105 .3955 .026 |
|
O3a .310 .8144 .8994 .024 |
|
|
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|
| |
|
Lakebogaite |
| |
Mills S J, Birch W D, Kolitsch U, Mumme W G, Grey I E |
| |
American Mineralogist 93 (2008) 691-697 |
|
Lakebogaite, CaNaFe3+2H(UO2)2(PO4)4(OH)2(H2O)8, a new uranyl phosphate with a |
|
unique crystal structure from Victoria, Australia |
|
Locality: Upper Devonian granite, near Lake Boga, northern Victoria, Australia |
|
_database_code_amcsd 0004567 |
|
19.6441 7.0958 18.7029 90 115.692 90 Cc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 .0322 .5094 .1651 .888 .006 .003 .011 .004 .000 .001 -.001 |
|
U2 .9593 .5014 .8378 .016 .014 .025 .012 -.001 .008 -.002 |
|
Fe1 .2471 .7326 .5022 .013 .012 .019 .011 -.001 .007 -.001 |
|
Fe2 .2459 .2302 .5032 .91 .011 .009 .016 .010 .003 .005 -.001 |
|
Al2 .2459 .2302 .5032 .09 .011 .009 .016 .010 .003 .005 -.001 |
|
P1 .3711 .9773 .4742 .013 .011 .024 .004 .003 .005 .000 |
|
P2 .6225 .9882 .5323 .011 .007 .020 .007 .003 .004 .002 |
|
P3 .1521 .4703 .3417 .011 .004 .025 .004 -.002 .002 -.005 |
|
P4 .8385 .4940 .6595 .017 .015 .022 .014 -.002 .006 -.003 |
|
Ca1 .2678 .2311 .2990 .87 .014 .016 .017 .017 .005 .013 .000 |
|
Na1 .2678 .2311 .2990 .13 .014 .016 .017 .017 .005 .013 .000 |
|
Na2 .7159 .7405 .6913 .036 .032 .035 .048 .012 .024 .019 |
|
O1 .3370 .1460 .4967 .019 |
|
O2 .4463 .9223 .5409 .016 |
|
O3 .3165 .8069 .4528 .018 |
|
O4 .3798 .0352 .3975 .017 |
|
O5 .6102 .9406 .6038 .018 |
|
O6 .6537 .8158 .5098 .023 |
|
O7 .6750 .1568 .5499 .016 |
|
O8 .5460 .0415 .4624 .027 |
|
O9 .1645 .4920 .2675 .013 |
|
O10 .1749 .6433 .3953 .014 |
|
O11 .1981 .2967 .3868 .017 |
|
O12 .0650 .4359 .3097 .014 |
|
O13 .8188 .3206 .6110 .022 |
|
O14 .7908 .6620 .6195 .019 |
|
O15 .9251 .5329 .6925 .015 |
|
O16 .8321 .4603 .7399 .019 |
|
O17 .0360 .7502 .1870 .025 |
|
O18 .0292 .2606 .1454 .021 |
|
O19 .9526 .7509 .8460 .036 |
|
O20 .9656 .2492 .8259 .033 |
|
OH1 .2918 .4809 .5284 .018 |
|
OH2 .1971 .9798 .4733 .017 |
|
Wat1 .3490 .4715 .3907 .048 |
|
Wat2 .2112 .9241 .3021 .031 |
|
Wat3 .2958 .4679 .2152 .046 |
|
Wat4 .1706 .1125 .1614 .044 |
|
Wat5 .5519 .4796 .4587 .011 |
|
Wat6 .4546 .5083 .5248 .057 |
|
Wat7 .4160 .4894 .6819 .024 |
|
|
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|
| |
|
Kintoreite |
|
Grey I E, Mumme W G, Mills S J, Birch W D, Wilson N C |
| |
American Mineralogist 94 (2009) 676-683 |
|
The crystal chemical role of Zn in alunite-type minerals: |
|
Structure refinements for kintoreite and zincian kintoreite |
|
Locality: Schone Aussicht mine, near Dernbach, Germany |
|
_database_code_amcsd 0004931 |
|
7.2963 7.2963 16.8491 90 90 120 R-3m |
|
atom x y z occ Uiso |
|
Pb .0537 0 0 1/6 .0196 |
|
Fe .5 0 .5 .0094 |
|
P 0 0 .3148 .0088 |
|
O1 0 0 .5954 .0135 |
|
O2 .2193 -.2193 -.0516 .0173 |
|
O3 .1272 -.1272 .1324 .0093 |
|
H .184 -.184 .100 .03 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Kintoreite |
|
Grey I E, Mumme W G, Mills S J, Birch W D, Wilson N C |
| |
American Mineralogist 94 (2009) 676-683 |
|
The crystal chemical role of Zn in alunite-type minerals: |
|
Structure refinements for kintoreite and zincian kintoreite |
|
Locality: Kintore mine at Broken Hill, New South Wales |
|
_database_code_amcsd 0004932 |
|
7.3789 7.3789 16.8552 90 90 120 R-3m |
|
atom x y z occ Uiso |
|
Pb .0630 0 0 1/6 .0313 |
|
Fe .5 0 .5 .0133 |
|
Zn .0653 -.0653 .4954 .0517 .025 |
|
PX 0 0 .31364 .54 .0102 |
|
SX 0 0 .31364 .08 .0102 |
|
AsX 0 0 .31364 .383 .0102 |
|
O1 0 0 .5937 .024 |
|
O2 .2158 -.2158 -.0534 .0193 |
|
OH3 .1272 -.1272 .1330 .0153 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Townendite |
| |
Grey I E, Macrae C M, Mumme W G, Pring A |
| |
American Mineralogist 95 (2010) 646-650 |
|
Townendite, Na8ZrSi6O18, a new uranium-bearing lovozerite group mineral |
|
from the Ilimaussaq alkaline complex, Southern Greenland |
|
Locality: the Ilimaussaq alkaline complex, Southern Greenland |
|
_database_code_amcsd 0005045 |
|
10.345 10.345 13.103 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) |
|
ZrM 0 0 .5 .67 .017 .016 .016 .016 .008 0 0 |
|
SnM 0 0 .5 .04 .017 .016 .016 .016 .008 0 0 |
|
UM 0 0 .5 .02 .017 .016 .016 .016 .008 0 0 |
|
TiM 0 0 .5 .01 .017 .016 .016 .016 .008 0 0 |
|
NaA .5 0 0 .026 .024 .039 .020 .020 -.007 -.014 |
|
NaB .5 0 .5 .70 .036 .033 .057 .027 .029 .006 .012 |
|
NaC 0 0 .2537 .66 .026 .023 .023 .032 .011 0 0 |
|
MnC 0 0 .2537 .08 .026 .023 .023 .032 .011 0 0 |
|
FeC 0 0 .2537 .06 .026 .023 .023 .032 .011 0 0 |
|
YC 0 0 .2537 .07 .026 .023 .023 .032 .011 0 0 |
|
CaC 0 0 .2537 .08 .026 .023 .023 .032 .011 0 0 |
|
Si .1507 .3013 .0661 .020 .019 .020 .023 .010 -.001 -.002 |
|
O1 .2409 .7591 .0645 .041 .034 .034 .062 .023 -.003 .003 |
|
O2 .1133 .8867 .1741 .049 .069 .069 .024 .048 .002 -.002 |
|
O3 .2546 0 0 .044 .043 .028 .055 .014 .012 .023 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Pekoite |
|
Mumme W G, Watts J A |
|
The Canadian Mineralogist 14 (1976) 322-333 |
|
Pekoite, CuPbBi11S18, a new member of the bismuthinite-alkinite mineral series: |
|
its crystal structure and relationship with naturally- and synthetically-formed members |
|
Note: x-coordinate of S18 changed in order to generate reported bond lengths. |
|
_database_code_amcsd 0005123 |
|
11.472 33.744 4.016 90 90 90 P2_1am |
|
atom x y z occ Biso |
|
BiM1 .4685 .9752 .5 .81 |
|
BiM2 .3368 .0710 0 1.92 |
|
BiM3 .0191 .1408 0 1.56 |
|
BiM4 .4891 .3077 .5 4.00 |
|
BiM5 .3430 .4060 0 5.90 |
|
BiM6 .1582 .2389 .5 1.50 |
|
BiM7 .1535 .9049 .5 .24 |
|
BiM8 .0255 .8082 0 2.80 |
|
BiM9 .4868 .6411 .5 1.74 |
|
BiM10 .1718 .5717 .5 1.93 |
|
BiM11 .0098 .4748 0 1.20 |
|
BiM12 .3326 .7521 0 .3 3.00 |
|
PbM12 .3326 .7521 0 .7 3.00 |
|
Cu .2455 .6525 0 .7 5.00 |
|
S1 .2754 .0179 .5 .83 1.05 |
|
Se1 .2754 .0179 .5 .17 1.05 |
|
S2 .1150 .1018 .5 .83 2.15 |
|
Se2 .1150 .1018 .5 .17 2.15 |
|
S3 .0500 .2958 0 .83 1.65 |
|
Se3 .0500 .2958 0 .17 1.65 |
|
S4 .0454 .9600 0 .83 2.00 |
|
Se4 .0454 .9600 0 .17 2.00 |
|
S5 .4546 .1291 .5 .83 1.35 |
|
Se5 .4546 .1291 .5 .17 1.35 |
|
S6 .3700 .9370 0 .83 1.80 |
|
Se6 .3700 .9370 0 .17 1.80 |
|
S7 .2854 .3515 .5 .83 2.15 |
|
Se7 .2854 .3515 .5 .17 2.15 |
|
S8 .3705 .2684 0 .83 .95 |
|
Se8 .3705 .2684 0 .17 .95 |
|
S9 .2200 .1849 0 .83 1.06 |
|
Se9 .2200 .1849 0 .17 1.06 |
|
S10 .2056 .5179 0 .83 1.85 |
|
Se10 .2056 .5179 0 .17 1.85 |
|
S11 .3795 .6018 0 .83 2.14 |
|
Se11 .3795 .6018 0 .17 2.14 |
|
S12 .4549 .7958 .5 .83 1.44 |
|
Se12 .4549 .7958 .5 .17 1.44 |
|
S13 .4546 .4624 .5 .83 1.85 |
|
Se13 .4546 .4624 .5 .17 1.85 |
|
S14 .0550 .6291 0 .83 1.65 |
|
Se14 .0550 .6291 0 .17 1.65 |
|
S15 .1205 .4351 .5 .83 .85 |
|
Se15 .1205 .4351 .5 .17 .85 |
|
S16 .2146 .8520 0 .83 1.05 |
|
Se16 .2146 .8520 0 .17 1.05 |
|
S17 .1205 .7684 .5 .83 1.15 |
|
Se17 .1205 .7684 .5 .17 1.15 |
|
S18 .2854 .6849 .5 .83 2.56 |
|
Se18 .2854 .6849 .5 .17 2.56 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Pavonite |
|
Makovicky E, Mumme W G, Watts J A |
|
The Canadian Mineralogist 15 (1977) 339-348 |
|
The crystal structure of synthetic pavonite, AgBi3S5, and |
|
the definition of the pavonite homologous series |
|
_database_code_amcsd 0005141 |
|
13.305 4.042 16.417 90 94.02 90 C2/m |
|
atom x y z Biso |
|
Bi1 .2369 .5 .1110 1.85 |
|
Bi2 .4722 0 .2169 2.07 |
|
Bi3 .2192 0 .3891 2.17 |
|
Ag1 0 0 0 2.51 |
|
Ag2 0 .5 .5 2.43 |
|
S1 .3688 0 .0534 1.20 |
|
S2 .0979 0 .1479 2.20 |
|
S3 .3386 .5 .2612 .99 |
|
S4 .0772 .5 .3603 1.38 |
|
S5 .3439 .5 .4664 1.50 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Benjaminite |
|
Makovicky E, Mumme W G |
|
The Canadian Mineralogist 17 (1979) 607-618 |
|
The crystal structure of benjaminite Cu.5Pb.4Ag2.3Bi6.8S12 |
|
_database_code_amcsd 0005170 |
|
13.299 4.070 20.209 90 103.32 90 C2/m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
AgMe1 0 0 0 .5 .0010 .1704 .0021 0 -.0001 0 |
|
CuMe1 0 0 0 .5 .0010 .1704 .0021 0 -.0001 0 |
|
BiMe2 .7599 0 .0913 .0023 .0694 .0010 0 -.0003 0 |
|
BiMe3 0 0 .5 .5 .0025 .0649 .0010 0 -.0003 0 |
|
AgMe4 .6958 0 .4092 .7 .0031 .0756 .0015 0 .0003 0 |
|
BiMe4 .6958 0 .4092 .3 .0031 .0756 .0015 0 .0003 0 |
|
PbMe4 .6958 0 .4092 .2 .0031 .0756 .0015 0 .0003 0 |
|
BiMe5 .3856 0 .3193 .0019 .0789 .0013 0 .0000 0 |
|
BiMe6 .0781 0 .2283 .8 .0034 .0899 .0015 0 .0004 0 |
|
AgMe6 .0781 0 .2283 .2 .0034 .0899 .0015 0 .0004 0 |
|
S1 .8594 .5 .0279 .0003 .0232 .0019 0 .0005 0 |
|
S2 .6170 .5 .1080 .0044 .0639 .0003 0 .0008 0 |
|
S3 .8461 .5 .4633 .0045 .0380 .0009 0 .0001 0 |
|
S4 .5396 .5 .3698 .0022 .0324 .0012 0 -.0005 0 |
|
S5 .2407 .5 .2832 .0046 .1222 .0015 0 -.0007 0 |
|
S6 .9302 .5 .1985 .0004 .0989 .0012 0 -.0006 0 |
|
|
| Download AMC data (View Text File)
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| |
|
Weibullite |
|
Mumme W G |
|
The Canadian Mineralogist 18 (1980) 1-12 |
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Weibullite Ag0.32Pb5.09Bi8.55Se6.08S11.92 from Falun, Sweden: |
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A higher homologue of galenobismutite |
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Locality: Falun, Sweden |
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_database_code_amcsd 0005173 |
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53.68 4.11 15.40 90 90 90 Pnma |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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PbMe1 .0515 .25 .3631 .0003 .0790 .0075 0 .0002 0 |
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BiMe2 .1170 .75 .3525 .0004 .0920 .0063 0 -.0001 0 |
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BiMe3 .1822 .25 .3323 .0003 .0500 .0060 0 .0001 0 |
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PbMe4 .2524 .75 .2845 .0004 .0630 .0072 0 .0001 0 |
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BiMe5 .2894 .25 .0580 .0003 .0750 .0061 0 .0001 0 |
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BiMe6 .3563 .75 .0768 .0003 .0740 .0051 0 -.0001 0 |
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BiMe7 .4212 .25 .0974 .0003 .0750 .0060 0 -.0001 0 |
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BiMe8 .4865 .75 .1091 .0003 .0850 .0053 0 .0002 0 |
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PbMe9 .0596 .75 .0648 .0003 .1030 .0054 0 -.0003 0 |
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PbMe10 .1396 .75 .0827 .0005 .0720 .0089 0 -.0001 0 |
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PbMe11 .2195 .75 .0311 .33 .0003 .0090 .0153 0 -.0009 0 |
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BiMe11 .2195 .75 .0311 .34 .0003 .0090 .0153 0 -.0009 0 |
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AgMe11 .2195 .75 .0311 .33 .0003 .0090 .0153 0 -.0009 0 |
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BiMe12 .3287 .75 .3641 .0003 .0770 .0073 0 .0001 0 |
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PbMe13 .4042 .75 .3667 .0003 .0800 .0069 0 .0001 0 |
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BiMe14 .4837 .75 .3848 .0003 .0710 .0064 0 .0002 0 |
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S1 .0332 .75 .4905 .0004 .0200 .0034 0 .0004 0 |
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S2 .0960 .25 .4715 .0002 .0750 .0093 0 -.0012 0 |
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S3 .1634 .75 .4549 .0004 .0170 .0034 0 .0004 0 |
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S4 .2300 .25 .4325 .67 .0005 .0920 .0056 0 .0003 0 |
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Se4 .2300 .25 .4325 .33 .0005 .0920 .0056 0 .0003 0 |
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S5 .0039 .25 .2802 .67 .0003 .0840 .0064 0 .0001 0 |
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Se5 .0039 .25 .2802 .33 .0003 .0840 .0064 0 .0001 0 |
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S6 .0721 .75 .2630 .67 .0005 .1250 .0046 0 -.0004 0 |
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Se6 .0721 .75 .2630 .33 .0005 .1250 .0046 0 -.0004 0 |
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S7 .1340 .25 .2397 .67 .0002 .0080 .0226 0 .0016 0 |
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Se7 .1340 .25 .2397 .33 .0002 .0080 .0226 0 .0016 0 |
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S8 .1987 .75 .2271 .67 .0006 .1120 .0178 0 -.0004 0 |
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Se8 .1987 .75 .2271 .33 .0006 .1120 .0178 0 -.0004 0 |
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S9 .3108 .75 .1611 .67 .0007 .0800 .0121 0 .0009 0 |
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Se9 .3108 .75 .1611 .33 .0007 .0800 .0121 0 .0009 0 |
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S10 .3762 .25 .1872 .67 .0003 .0980 .0056 0 .0003 0 |
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Se10 .3762 .25 .1872 .33 .0003 .0980 .0056 0 .0003 0 |
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S11 .4421 .75 .2001 .67 .0006 .1000 .0057 0 .0006 0 |
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Se11 .4421 .75 .2001 .33 .0006 .1000 .0057 0 .0006 0 |
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S12 .1758 .25 .0433 .0003 .0030 .0056 0 .0004 0 |
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S13 .0242 .25 .0506 .0004 .1600 .0038 0 .0002 0 |
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S14 .0959 .25 .0595 .67 .0005 .0750 .0176 0 .0009 0 |
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Se14 .0959 .25 .0595 .33 .0005 .0750 .0176 0 .0009 0 |
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S15 .2475 .25 .1417 .0003 .0030 .0046 0 .0004 0 |
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S16 .4448 .25 .3792 .0001 .0800 .0124 0 .0003 0 |
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S17 .2946 .25 .3534 .0004 .0640 .0060 0 .0001 0 |
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S18 .3658 .25 .4009 .0004 .0950 .0028 0 .0002 0 |
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|
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| |
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Nordstromite |
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Mumme W G |
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The Canadian Mineralogist 18 (1980) 343-352 |
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The crystal structure of nordstromite CuPb3Bi7(S,Se)14, from Falun, |
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Sweden: A member of the junoite homologous series |
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Locality: Falun, Sweden |
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_database_code_amcsd 0005180 |
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17.97 4.11 17.62 90 94.3 90 P2_1/m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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BiMe1 .0909 .25 .0540 .73 .0023 .0516 .0027 0 .0001 0 |
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PbMe1 .0909 .25 .0540 .27 .0023 .0516 .0027 0 .0001 0 |
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PbMe2 .3268 .25 .0441 .0030 .0445 .0035 0 .0004 0 |
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BiMe3 .2133 .75 .2238 .0020 .0489 .0023 0 .0001 0 |
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BiMe4 .4521 .75 .2364 .0021 .0597 .0023 0 .0001 0 |
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BiMe5 .0496 .25 .3947 .0025 .0505 .0032 0 -.0002 0 |
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BiMe6 .3210 .25 .4060 .73 .0021 .0633 .0023 0 -.0001 0 |
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PbMe6 .3210 .25 .4060 .27 .0021 .0633 .0023 0 -.0001 0 |
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BiMe7 .1519 .25 .6121 .0026 .0514 .0025 0 .0001 0 |
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BiMe8 .4377 .75 .5818 .73 .0024 .0457 .0023 0 .0001 0 |
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PbMe8 .4377 .75 .5818 .27 .0024 .0457 .0023 0 .0001 0 |
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BiMe9 .1071 .75 .8140 .73 .0034 .0552 .0023 0 .0002 0 |
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PbMe9 .1071 .75 .8140 .27 .0034 .0552 .0023 0 .0002 0 |
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BiMe10 .3134 .25 .8122 .0028 .0451 .0032 0 -.0003 0 |
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Cu1 .4786 .75 .9305 .0033 .0846 .0044 0 .0003 0 |
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S1 .0016 .25 .9121 .0030 .0087 .0034 0 .0003 0 |
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S2 .2113 .75 .0709 .0017 .0152 .0030 0 -.0001 0 |
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S3 .4572 .75 .0863 .0015 .0335 .0020 0 -.0003 0 |
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S4 .1106 .25 .2187 .2 .0032 .0662 .0025 0 .0002 0 |
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Se4 .1106 .25 .2187 .8 .0032 .0662 .0025 0 .0002 0 |
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S5 .3318 .25 .2253 .0012 .0351 .0018 0 -.0002 0 |
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S6 .2167 .75 .3969 .2 .0024 .0321 .0032 0 -.0001 0 |
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Se6 .2167 .75 .3969 .8 .0024 .0321 .0032 0 -.0001 0 |
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S7 .4439 .75 .4106 .0017 .0482 .0009 0 -.0001 0 |
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S8 .0728 .75 .5245 .0043 .0106 .0021 0 .0002 0 |
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S9 .3262 .25 .5670 .2 .0018 .0391 .0030 0 -.0001 0 |
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Se9 .3262 .25 .5670 .8 .0018 .0391 .0030 0 -.0001 0 |
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S10 .0399 .25 .6919 .0024 .0393 .0013 0 -.0014 0 |
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S11 .2131 .75 .7128 .0019 .0374 .0021 0 -.0002 0 |
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S12 .4382 .75 .7371 .2 .0026 .0988 .0035 0 .0001 0 |
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Se12 .4382 .75 .7371 .8 .0026 .0988 .0035 0 .0001 0 |
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S13 .1885 .25 .8893 .2 .0037 .0761 .0048 0 -.0009 0 |
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S13 .1885 .25 .8893 .8 .0037 .0761 .0048 0 -.0009 0 |
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S14 .3526 .75 .9157 .0017 .0885 .0026 0 -.0003 0 |
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|
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| |
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Paderaite |
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Mumme W G |
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The Canadian Mineralogist 24 (1986) 513-521 |
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The crystal structure of paderaite, a mineral of the cuprobismutite series. |
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_database_code_amcsd 0005211 |
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28.440 3.900 17.550 90 106 90 P2_1/m |
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atom x y z occ Uiso |
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AgM1 .0004 .25 .4125 .0258 |
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PbM2 .1810 .25 .3400 .0074 |
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CuM3 .3058 .25 .3679 .9 .0484 |
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CuM4 .4937 .25 .3413 .0013 |
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BiM5 .6190 .75 .2756 .0023 |
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BiM6 .7740 .75 .2937 .0127 |
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BiM7 .9187 .75 .2819 .0166 |
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CuM8 .0614 .25 .3068 .0051 |
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CuM9 .2467 .75 .2191 .0075 |
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BiM10 .3811 .75 .2286 .0069 |
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CuM11 .5123 .25 .1633 .0027 |
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CuM12 .6976 .25 .1232 .0037 |
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BiM13 .8210 .25 .1185 .0025 |
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BiM14 .0048 .75 .1062 .0011 |
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BiM15 .1349 .25 .0956 .0146 |
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BiM16 .2824 .25 .0552 .0009 |
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BiM17 .5694 .75 .0150 .0045 |
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BiM18 .4299 .75 .4813 .0047 |
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BiM19 .7203 .25 .4613 .0090 |
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BiM20 .8786 .25 .4784 .0011 |
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S1 .6522 .75 .4267 .0398 |
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S2 .7938 .75 .4708 .0249 |
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S3 .9400 .75 .4800 .0188 |
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S4 .0984 .75 .3656 .0050 |
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S5 .2646 .75 .3858 .0071 |
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S6 .3886 .25 .3933 .0035 |
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S7 .4998 .75 .4086 .0147 |
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S8 .5683 .25 .2951 .0034 |
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S9 .7062 .25 .2846 .0035 |
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S10 .8388 .25 .2854 .0617 |
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S11 .9798 .25 .2722 .0213 |
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S12 .1662 .75 .2042 .0009 |
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S13 .2990 .25 .1996 .0007 |
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S14 .4449 .25 .2217 .0145 |
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S15 .6096 .25 .1093 .0046 |
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S16 .7340 .75 .1334 .0034 |
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S17 .8799 .75 .1215 .0308 |
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S18 .0602 .75 .0049 .0009 |
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S19 .2059 .75 .0375 .0216 |
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S20 .3505 .75 .0714 .0008 |
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S21 .5027 .75 .0898 .0015 |
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S22 .0712 .25 .1818 .0051 |
|
|
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|
| |
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Heyrovskyite |
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Makovicky E, Mumme W G, Hoskins B F |
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The Canadian Mineralogist 29 (1991) 553-559 |
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The crystal structure of Ag-Bi-bearing heyrovskyite |
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Locality: La Roche Balue, west of Nantes, France |
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_database_code_amcsd 0005269 |
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4.11 13.60 30.485 90 90 90 Cmcm |
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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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PbMe1 0 .4028 .25 .0150 .0262 .0478 0 0 0 |
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PbMe2 0 .5 0 .79 .0092 .0153 .0324 .0005 0 0 |
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BiMe2 0 .5 0 .21 .0092 .0153 .0324 .0005 0 0 |
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PbMe3 0 .2284 .0599 .79 .0099 .0116 .0370 0 0 .0020 |
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BiMe3 0 .2284 .0599 .21 .0099 .0116 .0370 0 0 .0020 |
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AgMe4 .5 .1729 .1778 .655 .0098 .0243 .0176 0 0 .0091 |
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BiMe4 .5 .1729 .1778 .345 .0098 .0243 .0176 0 0 .0091 |
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BiMe5 .5 .4544 .1217 .0114 .0146 .0185 0 0 .0014 |
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S1 0 .0433 .1950 .0196 |
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S2 .5 .0888 .0853 .0217 |
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S3 .5 .2567 .2500 .0328 |
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S4 0 .3273 .1501 .0165 |
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S5 .5 .3590 .0251 .0102 |
|
|
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|
| |
|
Berryite |
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Topa D, Makovicky E, Putz H, Mumme W G |
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The Canadian Mineralogist 44 (2006) 465-480 |
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The crystal structure of berryite, Cu3Ag2Pb3Bi7S16 |
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Locality: Grube Clara, Black Forest, Germany |
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Note: y-coordinates corrected by author |
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_database_code_amcsd 0006086 |
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12.703 4.0305 28.925 90 102.484 90 P2_1/m |
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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 .2212 .25 .7650 .021 .021 .012 .031 0 .007 0 |
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Cu2 .5349 .25 .2603 .024 .025 .013 .040 0 .016 0 |
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Cu3 .7355 .25 .7580 .019 .014 .008 .038 0 .009 0 |
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Ag1 .3872 .25 .4502 .043 .039 .076 .014 0 .005 0 |
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Ag2 .5636 .25 .9483 .044 .037 .078 .016 0 .001 0 |
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Pb1 .18898 .25 .66000 .0177 .0220 .0098 .0210 0 .0045 0 |
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Pb2 .32335 .25 .16151 .0197 .0251 .0105 .0233 0 .0048 0 |
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Pb3 .86159 .25 .67228 .0159 .0176 .0110 .0203 0 .0068 0 |
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Bi1 .01029 .25 .19285 .0129 .0149 .0070 .0160 0 .0015 0 |
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Bi2 .05234 .25 .44385 .0113 .0138 .0070 .0134 0 .0033 0 |
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Bi3 .23842 .25 .95422 .0111 .0143 .0051 .0147 0 .0053 0 |
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Bi4 .52225 .25 .64744 .0100 .0117 .0036 .0153 0 .0043 0 |
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Bi5 .63580 .25 .14436 .0106 .0138 .0051 .0124 0 .0018 0 |
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Bi6 .71532 .25 .45283 .0119 .0148 .0045 .0167 0 .0038 0 |
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Bi7 .89915 .25 .94336 .0123 .0147 .0067 .0162 0 .0054 0 |
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S1 .0397 .25 .7526 .008 .007 .007 .010 0 .005 0 |
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S2 .1232 .25 .5587 .013 .004 .012 .024 0 .003 0 |
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S3 .1872 .25 .2548 .012 .008 .006 .022 0 .004 0 |
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S4 .2082 .25 .8606 .012 .022 .011 .003 0 .007 0 |
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S5 .2545 .25 .0613 .010 .008 .014 .006 0 .001 0 |
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S6 .3434 .25 .3637 .008 .007 .003 .013 0 -.001 0 |
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S7 .4228 .25 .5368 .017 .025 .008 .019 0 .008 0 |
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S8 .5215 .25 .8613 .015 .012 .010 .023 0 .005 0 |
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S9 .5542 .25 .7393 .013 .010 .014 .016 0 .006 0 |
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S10 .6118 .25 .0359 .017 .017 .019 .014 0 -.001 0 |
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S11 .6562 .25 .3562 .010 .004 .004 .020 0 .001 0 |
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S12 .6965 .25 .2368 .013 .016 .005 .017 0 .002 0 |
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S13 .8022 .25 .5574 .010 .006 .012 .010 0 -.005 0 |
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S14 .8568 .25 .8470 .014 .022 .011 .011 0 .008 0 |
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S15 .9326 .25 .0492 .015 .019 .008 .021 0 .013 0 |
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S16 .9918 .25 .3526 .012 .022 .001 .017 0 .011 0 |
|
|
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View JMOL 3-D Structure
|
| |
|
Dadsonite |
|
Makovicky E, Topa D, Mumme W G |
|
The Canadian Mineralogist 44 (2006) 1499-1512 |
|
The crystal structure of dadsonite |
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Locality: Low Tatra Mountains, Slovakia |
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Sample: 8-angstrom structure |
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_database_code_amcsd 0006133 |
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8.276 17.392 19.505 83.527 77.882 89.215 P-1 |
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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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Pb1 .01133 .76979 .00506 .0236 .0251 .0231 .0216 .0038 -.0045 .0013 |
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Pb2 .09059 .84888 .77863 .0251 .0235 .0321 .0196 -.0026 -.0022 -.0076 |
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Pb3 .10223 .32396 .78080 .0211 .0229 .0211 .0189 .0014 -.0031 -.0033 |
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Pb4 .1025 .4633 .2931 .648 .0162 |
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Sb14 .129 .4626 .2950 .352 .0162 |
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Pb5 .18480 .73765 .60477 .0221 .0212 .0269 .0179 .0001 -.0028 -.0041 |
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Pb6 .21059 .39080 .57004 .0268 .0240 .0333 .0237 -.0005 -.0066 -.0032 |
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Pb7 .27458 .61319 .42895 .0264 .0238 .0331 .0231 .0011 -.0058 -.0049 |
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Pb8 .32374 .26441 .39448 .0220 .0206 .0277 .0181 .0014 -.0040 -.0041 |
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Pb9 .39622 .67579 .21894 .0209 .0232 .0214 .0185 .0016 -.0051 -.0031 |
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Pb10 .41029 .15288 .22049 .0234 .0236 .0276 .0194 .0011 -.0031 -.0072 |
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Pb11 .48670 .23079 .99463 .0235 .0234 .0232 .0219 .0035 -.0021 .0002 |
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Sb1A .029 .1701 .5736 .69 .0158 |
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Sb1B -.004 .1743 .5769 .31 .0158 |
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Sb2 .0503 .9794 .08083 .0212 .0228 .025 .0187 .0094 -.0071 -.0081 |
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Sb3 .1067 .0473 .4045 .741 .0221 |
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Pb12 .0927 .0379 .4095 .259 .0221 |
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Sb4A .161 .3547 .1324 .63 .0173 |
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Sb4B .207 .3550 .1312 .37 .0173 |
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Sb5 .2081 .90797 .25218 .0201 .0242 .02 .0145 .0036 -.0004 -.0029 |
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Sb6 .2112 .56013 .09091 .0203 .0266 .018 .0180 .0025 -.00672 -.00391 |
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Sb7 .27745 .43403 .93941 .0209 .0281 .017 .0171 .0004 -.0031 -.0017 |
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Sb8 .2994 .09129 .75116 .0233 .0251 .021 .0202 .0028 .0019 .0006 |
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Sb9 .3259 .64833 .84667 .0200 .0251 .0153 .0180 -.0001 -.0015 -.0001 |
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Sb10 .3889 .95737 .59170 .910 .0215 .0253 .0233 .0162 .0054 -.0022 -.0080 |
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Pb13 .3889 .95737 .59170 .090 .0215 .0253 .0233 .0162 .0054 -.0022 -.0080 |
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Sb11 .3986 .53266 .69370 .0201 .0225 .020 .0189 .0021 -.0036 -.0062 |
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Sb12 .4466 .01837 .92107 .0234 .0256 .028 .0201 .0109 -.0092 -.0100 |
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Sb13A .508 .8249 .4206 .56 .0173 |
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Sb13B .475 .8316 .4249 .44 .0173 |
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Cl 0 .5 .5 .020 .018 .015 .027 .003 -.007 .006 |
|
S2 .0135 .3901 .0306 .018 .019 .018 .015 .004 -.003 -.001 |
|
S3 .0163 .2929 .4964 .016 .021 .012 .016 .001 -.001 -.006 |
|
S4 .0504 .1407 .8286 .023 .027 .015 .022 .001 .002 .001 |
|
S5 .0587 .4716 .8246 .023 .021 .021 .026 -.001 -.002 -.004 |
|
S6 .0883 .6107 .3226 .018 .024 .022 .009 .001 -.002 -.003 |
|
S7 .1076 .1694 .3232 .017 .017 .023 .014 -.004 -.006 -.005 |
|
S8 .1224 .6836 .7710 .019 .026 .009 .021 .001 -.001 -.002 |
|
S9 .1447 .0081 .6763 .020 .024 .020 .015 .002 -.004 -.003 |
|
S10 .1941 .0273 .1695 .016 .020 .017 .012 .001 -.005 -.004 |
|
S11 .1990 .2194 .1119 .017 .021 .016 .014 .002 -.003 -.004 |
|
S12 .1982 .2300 .6428 .021 .037 .013 .017 .003 -.011 .001 |
|
S13 .2002 .6990 .1040 .017 .022 .014 .016 .001 -.006 .005 |
|
S14 .2186 .5589 .6111 .022 .029 .017 .020 .001 -.010 .002 |
|
S15 .2269 .8884 .5179 .020 .020 .022 .019 .002 -.005 -.001 |
|
S16 .2447 .1005 .9844 .022 .027 .017 .021 .006 .003 -.010 |
|
S17 .2547 .8976 .0174 .020 .023 .016 .020 .003 .002 -.003 |
|
S18 .2658 .1143 .4834 .023 .028 .020 .020 .002 -.004 -.003 |
|
S19 .3011 .3077 .8924 .018 .016 .024 .014 .002 -.004 -.003 |
|
S20 .3004 .7731 .8937 .017 .018 .016 .017 .001 -.003 -.006 |
|
S21 .3041 .9703 .8318 .016 .020 .016 .013 -.002 -.006 -.004 |
|
S22 .3198 .7707 .3543 .023 .036 .019 .017 .002 -.014 -.003 |
|
S23 .3413 .4421 .3905 .025 .027 .014 .030 -.001 .004 .003 |
|
S24 .3587 .9912 .3220 .024 .025 .024 .023 .001 -.007 .001 |
|
S25 .3941 .5282 .1750 .021 .023 .014 .026 .005 -.005 -.006 |
|
S26 .3950 .8351 .6721 .017 .021 .017 .015 .004 -.006 -.002 |
|
S27 .4055 .3158 .2318 .022 .024 .015 .023 .003 .003 -.004 |
|
S28 .4057 .3920 .6850 .017 .020 .019 .015 -.001 -.004 -.007 |
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S29 .4561 .3902 .0275 .019 .023 .0134 .018 .002 -.003 -.001 |
|
S30 .4594 .8598 .1711 .021 .027 .020 .015 .001 -.002 -.003 |
|
S31 .4830 .7112 .5056 .017 .020 .022 .010 .004 -.004 -.002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dadsonite |
|
Makovicky E, Topa D, Mumme W G |
|
The Canadian Mineralogist 44 (2006) 1499-1512 |
|
The crystal structure of dadsonite |
|
Locality: Low Tatra Mountains, Slovakia |
|
Sample: 4-angstrom structure |
|
_database_code_amcsd 0006134 |
|
4.1382 17.394 19.071 96.442 90.113 90.775 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .48704 .17595 .28094 .0213 .0234 .0212 .0193 -.0006 .0000 .0029 |
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Pb2 .46610 .76339 .10512 .0229 .0229 .0280 .0181 -.0004 .0006 .0040 |
|
Pb3 .47037 .26952 .49481 .0238 .0250 .0234 .0221 -.0036 .0018 -.0010 |
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Pb4 .50672 .11125 .07055 .0287 .0279 .0344 .0240 .0030 -.0006 .0040 |
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Pb5 .45958 .65206 .27908 .0246 .0243 .0308 .0198 .0027 .0018 .0075 |
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Sb1 .88034 .54324 .09268 .0155 .0194 .0169 .0115 -.0024 .0006 .0077 |
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Sb2 .98781 .9657 .1967 .715 .0197 |
|
Pb6 .99357 .9634 .2084 .285 .0197 |
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Sb3 .31642 .48052 .42005 .0229 .0230 .0264 .0204 -.0086 -.0040 .0092 |
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Sb4 .84048 .40830 .24935 .0231 .0293 .0203 .0192 -.0029 .0062 .0010 |
|
Sb5 .00636 .85307 .35688 .0414 .0396 .0163 .069 .0014 .0089 .0093 |
|
Sb6 .10149 .32827 .07603 .0250 .0362 .0200 .0186 .0068 -.0057 .0001 |
|
Sb7 .98638 .0601 .4089 .49 .022 |
|
Sb8 .99359 .0661 .4392 .51 .023 |
|
Cl 0 0 0 .5 .096 |
|
S1 .973 .3986 .4835 .021 .026 .017 .021 -.004 .005 .006 |
|
S2 .992 .7232 .3907 .019 .021 .019 .018 .000 .001 .008 |
|
S3 .972 .7910 .0049 .018 .020 .019 .014 .000 .001 .005 |
|
S4 .995 .1956 .3940 .019 .018 .022 .016 -.001 -.001 .001 |
|
S5 .962 .6671 .1743 .019 .018 .021 .019 .001 -.003 .005 |
|
S6 .477 .6126 .0171 .022 .023 .021 .021 -.002 -.001 .001 |
|
S7 .488 .8162 .2697 .026 .042 .014 .023 -.000 .008 .004 |
|
S8 .999 .1091 .1811 .020 .020 .022 .018 -.000 -.001 .004 |
|
S9 .488 .9418 .1107 .051 .113 .014 .025 -.000 .007 -.002 |
|
S10 .463 .4913 .1770 .023 .027 .023 .018 -.001 -.001 .001 |
|
S11 .522 .2705 .1441 .023 .037 .014 .018 -.003 -.010 .002 |
|
S12 .499 .8901 .4707 .044 .097 .016 .018 -.003 .007 .001 |
|
S13 .489 .0288 .3249 .037 .070 .016 .025 -.002 .001 .005 |
|
S14 .941 .5285 .3311 .016 .020 .015 .014 .001 -.002 .004 |
|
S15 .419 .3592 .3285 .023 .031 .017 .020 -.003 .003 -.001 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kolitschite |
| |
Grey I E, Mumme W G, Bordet P |
| |
The Canadian Mineralogist 46 (2008) 1355-1364 |
|
A new crystal-chemical variation of the alunite-type structure |
|
in monoclinic PbZn0.5Fe3(AsO4)2(OH)6 |
|
Locality: Broken Hill, Australia |
|
_database_code_amcsd 0006197 |
|
25.8898 14.8753 12.1700 90 110.681 90 C2/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) |
|
Pb1 .61159 .1142 .9955 .0400 .0325 .0635 .0181 -.0124 .0018 .0033 |
|
Pb2 .60614 .63451 .0035 .0334 .0246 .0520 .0185 -.0020 .0011 .0026 |
|
Zn1 .78368 .8724 .2570 .700 .0205 .009 .047 .007 .0011 .0038 .0001 |
|
Zn2 .7158 .876 .243 .177 .055 .016 .13 .012 .002 .002 .009 |
|
Fe1 .74873 .6247 .2430 .0121 |
|
Fe2 .62168 .4972 .7547 .0077 |
|
Fe3 0 .1242 .75 .0068 |
|
Fe4 0 .3743 .25 .0067 |
|
Fe5 .37592 .7508 .2429 .0081 |
|
Fe6 .12343 .5010 .2524 .0071 |
|
Fe7 .87789 .7467 .2473 .0089 |
|
As1 .04625 .37548 .0273 .0067 |
|
As2 .70550 .37440 .9649 .0091 |
|
As3 .29788 .12454 .0308 .0088 |
|
As4 .04865 .87495 .0293 .0074 |
|
O1 .0212 .3744 .8836 .007 |
|
O2 .4937 .1237 .5801 .009 |
|
O3 .4146 .7824 .4162 .010 |
|
O4 .9131 .5328 .9164 .010 |
|
O5 .2651 .3757 .3902 .019 |
|
O6 .7435 .8748 .5883 .013 |
|
O7 .8348 .7822 .5791 .009 |
|
O8 .8355 .9672 .5801 .013 |
|
O9 .7227 .8750 .1151 .027 |
|
O10 .8370 .4682 .5798 .010 |
|
O11 .7432 .3757 .5766 .012 |
|
O12 .3369 .2180 .0812 .010 |
|
O13 .9761 .1253 .1148 .010 |
|
O14 .0875 .0315 .5853 .011 |
|
O15 .0890 .2159 .5854 .010 |
|
O16 .9953 .1272 .5818 .009 |
|
OH17 .3129 .7169 .2983 .011 |
|
OH18 .1885 .5331 .2063 .012 |
|
OH19 .1895 .0252 .2009 .011 |
|
OH20 .3079 .2263 .2886 .011 |
|
OH21 .0589 .9713 .3019 .006 |
|
OH22 .5914 .3740 .7051 .007 |
|
OH23 .1534 .1256 .8014 .015 |
|
OH24 .9413 .2199 .6993 .007 |
|
OH25 .9400 .2808 .1980 .007 |
|
OH26 .0595 .4711 .3004 .007 |
|
OH27 .8490 .6250 .7029 .012 |
|
OH28 .0924 .6244 .2032 .007 |
|
|
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|
| |
|
Proudite |
|
Mumme W G, Topa D, Makovicky E |
| |
The Canadian Mineralogist 47 (2009) 25-38 |
|
Proudite: A redetermination of its crystal structure and the |
|
proudite-felbertalite homologous series |
|
Locality: Tennant Creek, Australia |
|
_database_code_amcsd 0006273 |
|
31.8143 4.1002 36.560 90 109.266 90 C2/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) |
|
Bi1 .15135 .5 .15886 .0225 .0319 .0205 .0139 0 .0059 0 |
|
Pb2 -.14999 0 -.34867 .0262 .0381 .0221 .0171 0 .0075 0 |
|
Pb3 .09015 0 .05781 .0223 .0341 .0185 .0137 0 .0071 0 |
|
Pb4 .21068 0 .25878 .0251 .0362 .0211 .0166 0 .0068 0 |
|
Bi5 -.08572 .5 -.24695 .0274 .0414 .0223 .0178 0 .0088 0 |
|
Bi6 .27379 .5 .36010 .0249 .0365 .0211 .0149 0 .0054 0 |
|
Pb7 -.02670 0 -.14503 .0244 .0354 .0213 .0165 0 .0085 0 |
|
Pb8 -.21338 .5 -.44900 .0257 .0394 .0206 .0168 0 .0088 0 |
|
Bi9 .33998 0 .46164 .0228 .0318 .0205 .0139 0 .0048 0 |
|
Pb10 .03458 .5 -.04399 .0252 .0373 .0199 .0164 0 .0063 0 |
|
Bi11 .21576 0 .03788 .0294 .0389 .0269 .0208 0 .0078 0 |
|
Pb12 .28870 0 .16044 .0299 .0442 .0231 .0207 0 .0080 0 |
|
Bi13 .06023 .5 -.39925 .0339 .061 .0216 .0195 0 .0141 0 |
|
Bi14 .16338 0 -.08141 .0277 .040 .0238 .0169 0 .0062 0 |
|
Bi15 .07985 0 -.19458 .0314 .043 .0254 .0253 0 .0107 0 |
|
Bi16 .01710 0 -.31776 .0298 .044 .0253 .0194 0 .0097 0 |
|
Bi17 .36702 0 .27271 .0312 .050 .0237 .0178 0 .0087 0 |
|
Pb18 .41899 .5 .56515 .0506 .091 .035 .0221 0 .0129 0 |
|
Cu1 .0450 0 .5059 .052 .059 .065 .033 0 .018 0 |
|
Se1 .1197 .5 .0175 .85 .024 .033 .021 .021 0 .012 0 |
|
S1 .1197 .5 .0175 .15 .024 .033 .021 .021 0 .012 0 |
|
Se2 .1761 0 .1161 .64 .018 .024 .017 .011 0 .005 0 |
|
S2 .1761 0 .1161 .36 .018 .024 .017 .011 0 .005 0 |
|
Se .2363 .5 .2137 .81 .024 .031 .022 .023 0 .011 0 |
|
S3 .2363 .5 .2137 .19 .024 .031 .022 .023 0 .011 0 |
|
Se4 .2969 0 .3170 .61 .027 .035 .021 .025 0 .010 0 |
|
S4 .2969 0 .3170 .39 .027 .035 .021 .025 0 .010 0 |
|
Se5 .0600 0 -.0866 .78 .028 .031 .027 .026 0 .011 0 |
|
S5 .0600 0 -.0866 .22 .028 .031 .027 .026 0 .011 0 |
|
Se6 -.0009 .5 -.1874 .72 .030 .037 .026 .028 0 .012 0 |
|
S6 -.0009 .5 -.1874 .28 .030 .037 .026 .028 0 .012 0 |
|
Se7 -.0629 0 -.2884 .44 .031 .035 .027 .032 0 .014 0 |
|
S7 -.0629 0 -.2884 .56 .031 .035 .027 .032 0 .014 0 |
|
Se8 .3591 .5 .4141 .75 .026 .036 .024 .017 0 .007 0 |
|
S8 .3591 .5 .4141 .25 .026 .036 .024 .017 0 .007 0 |
|
Se9 .1792 .5 .3026 .11 .021 .021 .025 .014 0 .002 0 |
|
S9 .1792 .5 .3026 .89 .021 .021 .025 .014 0 .002 0 |
|
Se10 0 0 0 .04 .016 .019 .014 .013 0 .003 0 |
|
S10 0 0 0 .46 .016 .019 .014 .013 0 .003 0 |
|
Se11 .1182 0 .2016 .94 .016 .022 .016 .013 0 .008 0 |
|
S11 .1182 0 .2016 .06 .016 .022 .016 .013 0 .008 0 |
|
Se12 .0569 .5 .1003 .017 .018 .017 .017 0 .007 0 |
|
Se13 -.1272 .5 -.3941 .28 .020 .034 .012 .018 0 .015 0 |
|
S13 -.1272 .5 -.3941 .72 .020 .034 .012 .018 0 .015 0 |
|
Se14 -.2416 0 -.4042 .01 .017 .031 .012 .007 0 .004 0 |
|
S14 -.2416 0 -.4042 .99 .017 .031 .012 .007 0 .004 0 |
|
Se15 .3194 .5 .5095 .12 .019 .040 .012 .012 0 .017 0 |
|
S15 .3194 .5 .5095 .88 .019 .040 .012 .012 0 .017 0 |
|
Se16 .1326 .5 -.1388 .16 .029 .037 .021 .024 0 .003 0 |
|
S16 .1326 .5 -.1388 .84 .029 .037 .021 .024 0 .003 0 |
|
Se17 .0539 .5 -.2587 .14 .028 .039 .033 .010 0 .005 0 |
|
S17 .0539 .5 -.2587 .86 .028 .039 .033 .010 0 .005 0 |
|
Se18 -.0123 .5 -.3745 .24 .024 .030 .023 .017 0 .003 0 |
|
S18 -.0123 .5 -.3745 .76 .024 .030 .023 .017 0 .003 0 |
|
Se19 .0966 0 -.3298 .20 .028 .040 .021 .019 0 .005 0 |
|
S19 .0966 0 -.3298 .80 .028 .040 .021 .019 0 .005 0 |
|
Se20 .2393 0 -.0967 .13 .023 .033 .023 .009 0 .003 0 |
|
S20 .2393 0 -.0967 .87 .023 .033 .023 .009 0 .003 0 |
|
S21 .1574 0 -.2130 .021 .019 .019 .022 0 .005 0 |
|
Se22 .2027 .5 -.0261 .11 .030 .040 .031 .020 0 .010 0 |
|
S22 .2027 .5 -.0261 .89 .030 .040 .031 .020 0 .010 0 |
|
Se23 .4236 0 .5063 .05 .016 .020 .016 .006 0 -.001 0 |
|
S23 .4236 0 .5063 .95 .016 .020 .016 .006 0 -.001 0 |
|
Se24 -.0168 0 .4447 .08 .031 .043 .027 .023 0 .009 0 |
|
S24 -.0168 0 .4447 .92 .031 .043 .027 .023 0 .009 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Grumiplucite |
|
Mumme W G, Watts J A |
 |
Acta Crystallographica B36 (1980) 1300-1304 |
|
HgBi2S4: Crystal structure and relationship with the pavonite homologous series |
|
Locality: synthetic |
|
_database_code_amcsd 0009710 |
|
14.17 4.06 13.99 90 118.27 90 C2/m |
|
atom x y z Biso |
|
Hg1 0 0 0 2.3 |
|
Hg2 0 0 .5 2.4 |
|
Bi1 .2260 0 .3679 1.8 |
|
Bi2 .3499 0 .1379 1.7 |
|
S1 .1859 .5 .0648 1.3 |
|
S2 .4991 .5 .1701 .8 |
|
S3 .1244 .5 .4280 1.0 |
|
S4 .3432 .5 .3243 2.4 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Schulenbergite |
|
Mumme W G, Sarp H, Chiappero P J |
| |
Archives des Sciences, Geneve 47 (1994) 117-124 |
|
A note on the crystal structure of schulenbergite |
|
Locality: Cap Garonne Mine, Var, France |
|
_database_code_amcsd 0012035 |
|
8.211 8.211 7.106 90 90 120 P-3 |
|
atom x y z occ Uiso |
|
Cu1 .4369 .1761 .0009 .857 .011 |
|
Zn1 .4369 .1761 .0009 .143 .011 |
|
Cu2 0 0 0 .857 .011 |
|
Zn2 0 0 0 .143 .011 |
|
S 2/3 1/3 .428 .011 |
|
O3 2/3 1/3 .2183 .051 |
|
O4 .4937 .1946 .4919 .051 |
|
OH1 .2453 .1938 .1382 .77 .051 |
|
Wat1 .2453 .1938 .1382 .23 .051 |
|
OH2 .4853 .3997 .8396 .77 .051 |
|
Wat2 .4853 .3997 .8396 .23 .051 |
|
OH5 0 0 .5 .77 .051 |
|
Wat5 0 0 .5 .23 .051 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ulrichite |
|
Birch W D, Mumme W G, Segnit E R |
| |
Australian Mineralogist 3 (1988) 125-131 |
|
Ulrichite: a new copper calcium uranium phosphate from Lake Boga, Victoria, Australia |
|
Locality: Lake Boga, Victoria, Australia |
|
_database_code_amcsd 0012062 |
|
12.79 6.85 13.02 90 91.03 90 C2/m |
|
atom x y z occ Uiso |
|
Ca .2388 .5 .3259 .0187 |
|
Cu1 .5 0 .5 .047 |
|
Cu2 0 0 0 .0334 |
|
U .2535 0 .1832 .0451 |
|
P .2503 0 .4279 .0204 |
|
P2 .2689 .5 .0897 .0418 |
|
O1 .2881 0 .0273 .018 |
|
Wat2 .4308 .5 .2881 .037 |
|
Wat3 .4896 .2219 .4554 .5 .059 |
|
O4 .2317 .3251 .1702 .016 |
|
Wat5 .0507 .5 .3324 .048 |
|
O6 .3950 .5 .0923 .008 |
|
Wat7 .0380 .2556 .0390 .5 .039 |
|
O8 .3986 0 .2000 .004 |
|
O9 .1589 0 .5029 .062 |
|
O10 .3655 0 .4999 .059 |
|
O11 .2503 .1761 .3499 .031 |
|
O12 .1125 0 .1844 .053 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ca2Ta2O7 |
| |
Grey I E, Mumme W G, Ness T J, Roth R S, Smith K L |
| |
Journal of Solid State Chemistry 174 (2003) 285-295 |
|
Structural relations between weberite and zirconolite polytypes - refinements |
|
of doped 3T and 4M Ca2Ta2O7 and 3T CaZrTi2O7 |
|
Sample: T = 123 K, 3T weberite-type structure |
|
_database_code_amcsd 0014035 |
|
7.356 7.356 18.116 90 90 120 P3_121 |
|
atom x y z occ Uiso |
|
CaM1 .8412 0 1/3 .970 .0080 |
|
NdM1 .8412 0 1/3 .030 .0080 |
|
TaM2 .31000 0 1/3 .0052 |
|
CaM3 .1594 .6475 .0038 .968 .0111 |
|
NdM3 .1594 .6475 .0038 .032 .0111 |
|
TaM4 .32910 0 5/6 .92 .0049 |
|
ZrM4 .32910 0 5/6 .06 .0049 |
|
NdM4 .32910 0 5/6 .02 .0049 |
|
CaM5 .8333 0 5/6 .0115 |
|
TaM6 .5019 .33232 .16285 .93 .0042 |
|
ZrM6 .5019 .33232 .16285 .05 .0042 |
|
NdM6 .5019 .33232 .16285 .02 .0042 |
|
O1 .557 .606 .1994 .015 |
|
O2 .957 .802 .0484 .012 |
|
O3 .547 .406 .0574 .011 |
|
O4 .201 .223 .1488 .016 |
|
O5 .542 .789 .0646 .014 |
|
O6 .963 .312 .0572 .010 |
|
O7 .198 .634 .1519 .013 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ca2Ta2O7 |
| |
Grey I E, Mumme W G, Ness T J, Roth R S, Smith K L |
| |
Journal of Solid State Chemistry 174 (2003) 285-295 |
|
Structural relations between weberite and zirconolite polytypes - refinements |
|
of doped 3T and 4M Ca2Ta2O7 and 3T CaZrTi2O7 |
|
Sample: T = 295 K, 4M weberite-type structure |
|
_database_code_amcsd 0014036 |
|
12.761 7.358 24.565 90 100.17 90 C2 |
|
atom x y z occ Uiso |
|
Ca1 0 0 0 .0027 |
|
Ta1 0 .483 0 .0023 |
|
Ca11 .2565 .267 .0067 .958 .006 |
|
NdCa11 .2565 .267 .0067 .042 .006 |
|
Ta2 .1261 .753 .12174 .946 .0038 |
|
ZrTa2 .1261 .753 .12174 .054 .0038 |
|
Ca2 .1293 .269 .1287 .021 |
|
Ta21 .3776 .007 .12772 .974 .0050 |
|
ZrTa21 .3776 .007 .12772 .026 .0050 |
|
Ta22 .3801 .510 .12553 .976 .0048 |
|
ZrTa22 .3801 .510 .12553 .024 .0048 |
|
Ca3 .2585 .5071 .2472 .918 .006 |
|
NdCa3 .2585 .5071 .2472 .082 .006 |
|
Ta3 .2395 .017 .24980 .0064 |
|
Ca31 .0097 .255 .2549 .0021 |
|
Ca32 .0084 .745 .2504 .015 |
|
Ta4 .1283 .505 .37414 .958 .0046 |
|
ZrTa4 .1283 .505 .37414 .042 .0046 |
|
Ca4 .1278 .005 .3801 .876 .0086 |
|
NdCa4 .1278 .005 .3801 .124 .0086 |
|
Ta41 .3790 .256 .37435 .0044 |
|
Ta42 .3770 .754 .37134 .851 .0044 |
|
ZrTa42 .3770 .754 .37134 .149 .0044 |
|
Ca5 0 .512 .5 .024 |
|
Ta5 0 .011 .5 .0034 |
|
Ca51 .2483 .258 .4985 .924 .008 |
|
NdCa51 .2483 .258 .4985 .076 .008 |
|
O1 .640 .996 .4566 .013 |
|
O2 .415 .484 .2068 .008 |
|
O3 .392 .010 .0481 .010 |
|
O4 .137 .008 .4681 .011 |
|
O5 .366 .016 .2062 .009 |
|
O6 .125 .996 .2898 .012 |
|
O7 .736 .798 .3877 .018 |
|
O8 .171 .235 .2136 .013 |
|
O9 .332 .196 .2967 .011 |
|
O10 .086 .696 .0437 .018 |
|
O11 .431 .304 .4545 .008 |
|
O12 .590 .801 .0371 .006 |
|
O13 .526 .801 .3588 .013 |
|
O14 .855 .501 .3977 .016 |
|
O15 .731 .427 .1022 .017 |
|
O16 .823 .757 .1146 .013 |
|
O17 .827 .307 .2915 .008 |
|
O18 .731 .058 .1369 .008 |
|
O19 .934 .258 .1374 .012 |
|
O20 .734 .206 .3879 .013 |
|
O21 .435 .705 .4510 .019 |
|
O22 .898 .002 .3497 .016 |
|
O23 .672 .321 .2024 .008 |
|
O24 .121 .504 .2931 .010 |
|
O25 .838 .033 .0437 .015 |
|
O26 .525 .095 .1491 .012 |
|
O27 .525 .207 .3628 .013 |
|
O28 .524 .458 .1111 .013 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Zirconolite |
|
Grey I E, Mumme W G, Ness T J, Roth R S, Smith K L |
| |
Journal of Solid State Chemistry 174 (2003) 285-295 |
|
Structural relations between weberite and zirconolite polytypes - refinements |
|
of doped 3T and 4M Ca2Ta2O7 and 3T CaZrTi2O7 |
|
Locality: synthetic |
|
Sample: T = 123 K |
|
Note: polytype Zirconolite-3T |
|
_database_code_amcsd 0014037 |
|
7.228 7.228 16.805 90 90 120 P3_121 |
|
atom x y z occ Uiso |
|
CaM1 .8325 0 1/3 .840 .0071 |
|
ThM1 .8325 0 1/3 .040 .0071 |
|
ZrM1 .8325 0 1/3 .12 .0071 |
|
CaM2 .3342 0 1/3 .618 .0096 |
|
ThM2 .3342 0 1/3 .262 .0096 |
|
ZrM2 .3342 0 1/3 .12 .0096 |
|
ZrM3 .1647 .6633 .01782 .96 .0071 |
|
CaM3 .1647 .6633 .01782 .04 .0071 |
|
TiM4 .3291 0 5/6 .44 .0063 |
|
AlM4 .3291 0 5/6 .44 .0063 |
|
ZrM4 .3291 0 5/6 .12 .0063 |
|
TiM5 .9217 .050 .8319 .26 .016 |
|
ZrM5 .9217 .050 .8319 .06 .016 |
|
AlM5' .917 .110 .833 .18 .016 |
|
TiM6 .4995 .3323 .16426 .82 .0085 |
|
AlM6 .4995 .3323 .16426 .08 .0085 |
|
ZrM6 .4995 .3323 .16426 .10 .0085 |
|
O1 .600 .629 .1450 .019 |
|
O2 .007 .828 .0669 .012 |
|
O3 .526 .305 .0469 .007 |
|
O4 .192 .218 .1458 .012 |
|
O5 .525 .889 .0546 .009 |
|
O6 .939 .309 .0548 .008 |
|
O7 .211 .616 .1395 .015 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Holtite |
|
Hoskins B F, Mumme W G, Pryce M W |
|
Mineralogical Magazine 53 (1989) 457-463 |
|
Holtite, (Si2.25Sb0.75)B[Al6(Al0.43 Ta0.27[]0.30)O15(O,OH)2.25]: |
|
crystal structure and crystal chemistry |
|
Locality: Greenbrushes, Australia |
|
_database_code_amcsd 0014489 |
|
4.6914 11.896 20.383 90 90 90 Pnma |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1 .4052 .75 .2499 .43 .0136 .0024 .0025 0 -.0004 0 |
|
Ta1 .4052 .75 .2499 .27 .0136 .0024 .0025 0 -.0004 0 |
|
Al2 .5571 .6107 .4735 .0045 .0044 .0048 -.0004 -.0003 .0006 |
|
Al3 .0588 .4899 .4315 .0043 .0052 .0047 -.0002 .0000 .0003 |
|
Al4 .0603 .3593 .2902 .0082 .0071 .0085 .0000 -.0010 .0013 |
|
Si1 .0878 .75 .4077 .75 .0037 .0036 .0058 0 .0001 0 |
|
Sb1 .1150 .75 .3823 .25 .0040 .0036 .0052 0 .0007 0 |
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Si2 .5890 .5216 .3294 .75 .0035 .0078 .0033 .0013 -.0005 -.0019 |
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Sb2 .6117 .5632 .3164 .25 .0043 .0032 .0028 -.0005 .0009 .0011 |
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B .2252 .25 .4158 .0029 .0026 .0068 0 -.0019 0 |
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O1 .3798 .75 .4572 .0064 .0042 .0084 0 -.0008 0 |
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O2 .1618 .75 .3305 .75 .0133 .0116 .0079 0 .0009 0 |
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O3 .8906 .6377 .4243 .0052 .0060 .0073 .0004 .0016 .0006 |
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O4 .4016 .4348 .2815 .0062 .0063 .0076 -.0002 .0011 -.0011 |
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O5 .3922 .5511 .3942 .0051 .0074 .0057 -.0015 .0011 .0003 |
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O6 .8837 .4504 .3518 .0089 .0077 .0062 .0009 -.0012 -.0007 |
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O7 .6608 .6333 .2886 .75 .0109 .0098 .0101 .0001 -.0016 .0028 |
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O8 .1729 .25 .3499 .0105 .0082 .0055 0 -.0005 0 |
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O9 .2531 .3508 .4477 .0083 .0053 .0055 .0012 .0018 -.0004 |
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O10 .7620 .25 .2734 .0070 .0058 .0141 0 -.0006 0 |
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O11 .7498 .4670 .4883 .0046 .0056 .0062 -.0009 -.0003 -.0008 |
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Whiteite-(CaMnMn) |
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Grey I E, Mumme W G, Neville S M, Wilson N C, Birch W D |
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Mineralogical Magazine 74 (2010) 969-978 |
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Jahnsite - whiteite solid solutions and associated minerals in |
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the phosphate pegmatite at Hagendorf-Sud, Bavaria, Germany |
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Locality: Hagendorf-Sud, Bavaria, Germany |
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_database_code_amcsd 0018316 |
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14.941 6.9495 10.054 90 111.00 90 P2/a |
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atom x y z occ Uiso |
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CaX .25 .9770 0 1.18 .032 |
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MnM1 .25 .4798 0 .0150 |
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FeM2a .5 0 .5 .86 .0203 |
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MgM2a .5 0 .5 .14 .0203 |
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FeM2b .25 .4966 .5 .85 .0188 |
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MgM2b .25 .4966 .5 .15 .0188 |
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AlM3a 0 0 0 .80 .032 |
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FeM3a 0 0 0 .20 .032 |
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AlM3b 0 .5 0 .96 .007 |
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FeM3b 0 .5 0 .04 .007 |
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P1 .1786 .2574 .1859 .0167 |
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P2 .0793 .7489 .8035 .0148 |
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O1 .2707 .2319 .1503 .028 |
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O2 .2007 .2870 .3415 .030 |
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O3 .1178 .0771 .1342 .038 |
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O4 .1315 .4353 .0956 .028 |
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O5 .1879 .7087 .8547 .031 |
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O6 .0420 .7766 .6450 .021 |
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O7 .0681 .9307 .8809 .028 |
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O8 .0282 .5867 .8407 .025 |
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OH9 .0222 .7506 .0792 .015 |
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Wat10 .2255 .7314 .3413 .040 |
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Wat11 .4532 .2157 .3393 .036 |
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Wat12 .6364 .9984 .4769 .036 |
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Wat13 .3955 .5121 .5074 .034 |
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Ramdohrite |
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Makovicky E, Mumme W G |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 147 (1983) 58-79 |
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The crystal structure of ramdohrite, Pb6Sb11Ag3S24, and its implications for |
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the andorite group and zinckenite |
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Locality: Chocaya Mine, Potosi, Bolivia |
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Note: changed S12(z) to match reported bond distances |
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_database_code_amcsd 0014713 |
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19.24 13.08 8.73 90 90.28 90 P2_1/n |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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SbM1 .1501 .3729 .1392 .0012 .0041 .0057 0 -.0010 0 |
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SbM2 .0570 .6227 .1281 .0012 .0037 .0074 0 -.0009 0 |
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PbM3 .2502 .5832 .3990 .0019 .0035 .0123 0 .0008 0 |
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AgM4 .3579 .3239 .1200 .0022 .0060 .0315 0 .0013 0 |
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PbM5 .4508 .6097 .1298 .0016 .0044 .0128 0 -.0017 0 |
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SbM6 .1275 .3544 .6207 .0011 .0026 .0085 0 -.0016 0 |
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SbM7 .0530 .6349 .6373 .0014 .0034 .0041 0 -.0014 0 |
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PbM8 .2450 .5988 .8902 .0021 .0044 .0148 0 -.0013 0 |
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SbM9 .3708 .3512 .6187 .5 .0017 .0030 .0203 0 -.0029 0 |
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AgM9 .3708 .3512 .6187 .5 .0017 .0030 .0205 0 -.0029 0 |
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SbM10 .4481 .6220 .6439 .0012 .0034 .0112 0 -.0017 0 |
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S1 .1066 .4980 .3463 2.17 |
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S2 -.0015 .2654 .1414 2.40 |
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S3 .2720 .4519 .1450 2.08 |
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S4 .1619 .7225 .1117 1.78 |
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S5 .3980 .5200 .4176 3.10 |
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S6 .3313 .7403 .0818 2.78 |
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S7 .0990 .5015 .9156 1.95 |
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S8 .4860 .2560 .0919 2.50 |
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S9 .2412 .4383 .6371 1.33 |
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S10 .1712 .7105 .6454 1.85 |
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S11 .4113 .5003 .8501 2.73 |
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S12 .3386 .7265 .6659 2.62 |
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Izoklakeite |
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Makovicky E, Mumme W G |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 153 (1986) 121-145 |
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The crystal structure of izoklakeite, Pb51.3Sb20.4Bi19.5Ag1.2Cu2.9Fe0.7S114. |
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The kobellite homologous series and its derivatives |
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Locality: Vena, Sweden |
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_database_code_amcsd 0018392 |
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34.07 37.98 4.072 90 90 90 Pnnm |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb1 .0486 .0345 .5 .80 .0001 .0003 .079 .0001 0 0 |
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Bi1 .0486 .0345 .5 .20 .0001 .0003 .079 .0001 0 0 |
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Pb2 .0441 .1336 0 .60 .0004 .0004 .053 -.0001 0 0 |
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Bi2 .0441 .1336 0 .40 .0004 .0004 .053 -.0001 0 0 |
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Pb3 .0417 .2315 .5 .80 .0004 .0005 .079 .0001 0 0 |
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Bi3 .0417 .2315 .5 .20 .0004 .0005 .079 .0001 0 0 |
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Sb4 .0488 .3595 0 .65 .0002 .0004 .057 -.0002 0 0 |
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Bi4 .0488 .3595 0 .35 .0002 .0004 .057 -.0002 0 0 |
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Sb5 .0412 .4687 0 .85 .0005 .0006 .091 -.0003 0 0 |
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Bi5 .0412 .4687 0 .15 .0005 .0006 .091 -.0003 0 0 |
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Pb6 .1514 .0989 .5 .0003 .0004 .071 -.0001 0 0 |
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Bi7 .1456 .1992 0 .60 .0003 .0004 .075 .0003 0 0 |
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Sb7 .1456 .1992 0 .40 .0003 .0004 .075 .0003 0 0 |
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Pb8 .1351 .3011 .5 .0005 .0004 .083 -.0002 0 0 |
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Pb9 .1395 .4182 .5 .0002 .0004 .075 .0001 0 0 |
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Pb10 .2520 .0669 0 .0002 .0001 .072 .0000 0 0 |
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Bi11 .2539 .1609 .5 .60 .0002 .0004 .100 -.0002 0 0 |
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Sb11 .2539 .1609 .5 .40 .0002 .0004 .100 -.0002 0 0 |
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Bi12 .2426 .2588 0 .60 .0002 .0004 .061 .0002 0 0 |
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Sb12 .2426 .2588 0 .40 .0002 .0004 .061 .0002 0 0 |
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Pb13 .2479 .3602 .5 .0002 .0004 .072 .0001 0 0 |
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Bi14 .2452 .4633 0 .45 .0004 .0003 .079 .0000 0 0 |
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Sb14 .2452 .4633 0 .55 .0004 .0003 .079 .0000 0 0 |
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Pb15 .3743 .0269 0 .0002 .0003 .017 .0000 0 0 |
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Pb16 .3629 .1369 0 .0003 .0003 .081 .0000 0 0 |
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Pb17 .3660 .2472 0 .0006 .0004 .074 .0003 0 0 |
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Bi18 .3502 .4066 0 .55 .0002 .0001 .101 -.0001 0 0 |
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Sb18 .3502 .4066 0 .45 .0002 .0001 .101 -.0001 0 0 |
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Pb19 .3506 .5025 .5 .0002 .0004 .057 .0000 0 0 |
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Sb20 .4594 .0849 .5 .0002 .0009 .120 .0000 0 0 |
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Sb21 .4567 .1941 .5 .60 .0002 .0005 .063 .0000 0 0 |
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Bi21 .4567 .1941 .5 .40 .0002 .0005 .063 .0000 0 0 |
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Pb22 .4398 .3321 0 .0003 .0005 .072 .0001 0 0 |
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Pb23 .4500 .4317 .5 .60 .0002 .0005 .106 .0000 0 0 |
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Bi23 .4500 .4317 .5 .40 .0002 .0005 .106 .0000 0 0 |
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Cu24 .3299 .3237 .5 .74 .0010 .0006 .022 -.0004 0 0 |
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Fe24 .3299 .3237 .5 .18 .0010 .0006 .022 -.0004 0 0 |
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Ag24 .3299 .3237 .5 .08 .0010 .0006 .022 -.0004 0 0 |
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S1 0 0 0 5.5 |
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S2 -.0053 .1040 .5 6.5 |
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S3 .5041 .3056 .5 1.6 |
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S4 .0550 .3167 .5 .4 |
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S5 .0425 .4192 .5 1.8 |
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S6 .0954 .0616 0 2.6 |
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S7 .1056 .1637 .5 .1 |
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S8 .0981 .2508 0 .1 |
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S9 .1192 .3682 0 1.7 |
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S10 .1175 .4765 0 7.7 |
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S11 .1979 .0366 .5 .5 |
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S12 .1986 .1231 .0 2.2 |
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S13 .1849 .2288 .5 2.5 |
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S14 .2062 .3199 0 1.5 |
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S15 .2096 .4063 0 2.4 |
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S16 .2047 .4897 .5 .4 |
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S17 .2905 .1050 .5 1.1 |
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S18 .2892 .1867 0 .6 |
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S19 .2901 .2733 .5 .1 |
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S20 .3178 .3459 0 .5 |
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S21 .2974 .4329 .5 1.7 |
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S22 .3869 .0788 .5 .5 |
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S23 .3796 .1886 .5 .7 |
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S24 .3982 .2942 .5 4.6 |
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S25 .4013 .3841 .5 .4 |
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S26 .4077 .4732 0 3.1 |
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S27 .4578 .0288 0 1.4 |
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S28 .4418 .1340 0 4.9 |
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S29 .4577 .2401 0 2.7 |
|
|
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|
| |
|
Vikingite |
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Makovicky E, Mumme W G, Madsen I C |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1992 (1992) 454-468 |
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The crystal structure of vikingite |
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Locality: La Roche Balue, France |
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_database_code_amcsd 0014865 |
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13.598 4.112 25.2490 90 95.59 90 C2/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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BiMe1 .3703 0 .0394 .97 .0518 .0263 .0150 0 .0142 0 |
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AgMe1 .3703 0 .0394 .03 .0518 .0263 .0150 0 .0142 0 |
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AgMe2 .1023 0 .1073 .48 .0550 .0380 .0278 0 .0111 0 |
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BiMe2 .1023 0 .1073 .52 .0550 .0380 .0278 0 .0111 0 |
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PbMe3 .3497 .5 .1935 .0515 .0340 .0387 0 .0119 0 |
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AgMe4 .1333 0 .2829 .38 .0785 .0432 .0288 0 .0126 0 |
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PbMe4 .1333 0 .2829 .22 .0785 .0432 .0288 0 .0126 0 |
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BiMe4 .1333 0 .2829 .4 .0785 .0432 .0288 0 .0126 0 |
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BiMe5 .4261 0 .3514 .0513 .0286 .0169 0 .0134 0 |
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PbMe6 .2152 .5 .4268 .0532 .0345 .0208 0 .0150 0 |
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PbMe7 0 0 .5 .0573 .0294 .0214 0 .0151 0 |
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S1 0 0 0 .0466 |
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S2 .2566 .5 .0753 .0315 |
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S3 .4778 0 .1295 .0318 |
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S4 .2095 0 .1948 .0370 |
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S5 .5009 0 .2602 .0230 |
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S6 .2942 .5 .3174 .0181 |
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S7 .0693 0 .3914 .0172 |
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S8 .3560 0 .4668 .0137 |
|
|
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|
| |
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