American Mineralogist Crystal Structure Database

25 matching records for this search.

Fianelite
Download hom/fianelite.pdf
Brugger J, Berlepsch P
Download am/vol81/AM81_1270.pdf
American Mineralogist 81 (1996) 1270-1276
Description and crystal structure of fianelite, Mn2V(V,As)O7.2H2O, a new mineral
from Fianel, Val Ferrera, Graubunden, Switzerland
_database_code_amcsd 0001837
7.809 14.554 6.705 90 93.27 90 P2_1/n
atom      x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn1   .3987 .3846 .2378        .013  .0109   .012  .0013   .000  .0005
Mn2   .6200 .2475 .9615        .010  .0152   .016   .002  -.001  -.001
V1    .3285 .4211 .7458        .010  .0099   .007 -.0003  .0007  .0007
V2    .0403 .3176 .9497  .62   .012  .0135  .0104 -.0006  .0001 -.0008
As2   .0403 .3176 .9497  .38   .012  .0135  .0104 -.0006  .0001 -.0008
O1    .1650 .2928  .158        .023   .019   .012  -.004  -.012   .002
O2    .0580 .2360  .775        .019   .010   .012   .005   .003  -.002
O3    .1150 .4204  .848        .003   .024   .025  -.007   .005  -.005
O4    .3870 .5286  .706        .025   .007   .026  -.002  -.008   .000
O5   -.1640 .3394  .001        .025   .011   .024   .006   .000   .001
O6    .4580 .3674  .924        .025   .021   .011   .002   .011  -.005
O7    .3140 .3597  .529        .027   .019   .040   .014  -.014  -.008
Wat1   .231 .5068  .236        .027   .019   .040   .014  -.014  -.008
Wat2   .400 .1507  .945        .016   .049   .040  -.013  -.014   .006
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View JMOL 3-D Structure (permalink)
 
Cabalzarite
 
Brugger J, Meisser N, Schenk K, Berlepsch P, Bonin M, Armbruster T, Nyfeler D, Schmidt S
Download am/vol85/AM85_1307.pdf
American Mineralogist 85 (2000) 1307-1314
Description and crystal structure of cabalzarite Ca(Mg,Al,Fe)2(AsO4)2(H2O,OH)2,
a new mineral of the tsumcorite group
Locality: Falotta, Graubunden, Switzerland
Sample: CABA11.5, Lausanne
_database_code_amcsd 0002514
8.925 6.143 7.352 90 115.25 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)
CaM1      0     0      0       .0090  .0106  .0088  .0100      0  .0067      0
MgM2    .25   .25     .5 .392  .0040  .0033  .0041  .0038  .0006  .0007 -.0005
AlM2    .25   .25     .5 .408  .0040  .0033  .0041  .0038  .0006  .0007 -.0005
FeM2    .25   .25     .5 .177  .0040  .0033  .0041  .0038  .0006  .0007 -.0005
MnM2    .25   .25     .5 .023  .0040  .0033  .0041  .0038  .0006  .0007 -.0005
As   .91597    .5 .20844      .00491  .0036  .0067  .0049      0 .00225      0
Ow1   .3401    .5  .4089       .0102  .0067  .0182  .0060      0  .0031      0
O2    .3168     0  .3648       .0098  .0078  .0133  .0113      0  .0071      0
O3    .0371 .2771  .2519       .0084  .0078  .0075  .0103  .0011  .0039  .0004
O4    .2402    .5  .0187       .0140  .0086   .024  .0065      0  .0001      0
H11   .4278    .5  .4785   .5   .015
H14   .3321    .5  .3058        .052
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Cabalzarite
 
Brugger J, Meisser N, Schenk K, Berlepsch P, Bonin M, Armbruster T, Nyfeler D, Schmidt S
Download am/vol85/AM85_1307.pdf
American Mineralogist 85 (2000) 1307-1314
Description and crystal structure of cabalzarite Ca(Mg,Al,Fe)2(AsO4)2(H2O,OH)2,
a new mineral of the tsumcorite group
Locality: Falotta, Graubunden, Switzerland
Sample: CABA20, Bern
_database_code_amcsd 0002515
8.9284 6.1314 7.3439 90 115.494 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)
CaM1      0     0      0      .0154  .0183  .0143  .0160      0  .0096      0
MgM2    .25   .25     .5 .410 .0100  .0100  .0106  .0116  .0004  .0039  .0000
AlM2    .25   .25     .5 .420 .0100  .0100  .0106  .0116  .0004  .0039  .0000
FeM2    .25   .25     .5 .040 .0100  .0100  .0106  .0116  .0004  .0039  .0000
MnM2    .25   .25     .5 .130 .0100  .0100  .0106  .0116  .0004  .0039  .0000
As   .91648    .5 .20931      .0092  .0081  .0109  .0086      0  .0038      0
O1    .3396    .5  .4103      .0166   .011   .025   .013      0  .0051      0
O2    .3169     0  .3636      .0174   .017   .022   .017      0   .011      0
O3    .0376 .2764  .2528      .0015   .015   .013   .017   .001  .0068 -.0004
O4    .2385    .5  .0186      .0213   .018   .029   .013      0   .002      0
H11    .450    .5    .43   .5   .07
H14    .294    .5   .270        .03
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Sicherite
 
Graeser S, Berlepsch P, Makovicky E, Balic-Zunic T
Download am/vol86/AM86_1087.pdf
American Mineralogist 86 (2001) 1087-1093
Sicherite, TlAg2(As,Sb)3S6 - a new sulfosalt from Lengenbach (Binntal, Switzerland):
Description and structure determination
Locality: Lengenbach quarry, Binnatal, Switzerland
_database_code_amcsd 0002673
12.418 15.427 5.6895 90 90 90 Pmnb
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Tl1     .25 .23322 .87013     .03965 .03737  .0354  .0462      0      0 .00179
Ag1  .07814 .80769 .15465      .0586  .0418  .0397  .0944 -.0122 -.0176  .0171
As1     .25  .9641   .806 .57  .0257   .019   .033   .026      0      0  -.002
Sb1     .25  .9589   .796 .43   .031   .038  .0211   .036      0      0   .003
As2   .0950  .0551  .2949 .73  .0243  .0157  .0248   .032  .0042  .0000  .0023
Sb2   .0955  .0524  .3069 .27  .0292   .040   .031   .017   .002 -.0008 -.0035
S1      .25 .14175  .3705      .0272  .0218  .0299  .0299      0      0 -.0050
S2      .25 .89253  .1615      .0273  .0239  .0258  .0322      0      0  .0023
S3   .10710 .06197  .8866      .0273  .0214  .0313  .0290 -.0031 -.0013  .0022
S4   .97803 .16637  .3323      .0347  .0265  .0294  .0484  .0025  .0017 -.0006
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View JMOL 3-D Structure (permalink)
 
Sartorite
Download hom/sartorite.pdf
Berlepsch P, Armbruster T, Makovicky E, Topa D
Download am/vol88/AM88_450.pdf
American Mineralogist 88 (2003) 450-461
Another step toward understanding the true nature of sartorite:
Determination and refinement of a ninefold superstructure
_database_code_amcsd 0002988
37.71 7.898 20.106 90 101.993 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)
Pb1    .11812  .06199  .31086       .0540  .0477  .0568  .0562 -.0069  .0081 -.0040
Pb2    .23129  .08379  .31078       .0599  .0549  .0565  .0731  .0134  .0243  .0047
Pb3    .34273 -.59717 -.18503       .0514  .0440  .0579  .0511  .0050  .0068 -.0009
Pb4    .45338  .09418  .31461       .0568  .0473  .0461  .0815 -.0002  .0233  .0013
Pb5    .43835  .64077  .18296       .0533  .0390  .0641  .0571 -.0012  .0107 -.0053
Pb6    .33030 -.40497  .20582       .0488  .0395  .0475  .0587  .0047  .0083 -.0047
Pb7    .21828 -.41642  .20383       .0613  .0420  .0603  .0830 -.0081  .0158 -.0065
Pb8   -.10761  .07053  .29305       .0553  .0446  .0538  .0684 -.0090  .0139 -.0078
Pb9    .00536  .07666  .29546       .0533  .0515  .0526  .0606  .0141  .0224  .0094
As1    .14473  -.1612  .50326       .0409  .0350  .0437  .0434  .0000  .0064  .0062
As2   -.14122   .4970  .37925       .0383  .0373  .0384  .0403  .0025  .0101 -.0036
As3    .23534  -.1793  .48906       .0439  .0441  .0476  .0403 -.0098  .0095 -.0078
As4    .26684  -.0059  .13459       .0415  .0367  .0423  .0422  .0015  .0009 -.0037
Pb5a   .36331  -.2758  -.0178  .318 .0407
As5b   .36549  -.3088  -.0044  .682 .0486
As6    .36103   .0221  .11955       .0454  .0537  .0401  .0448  .0008  .0158  .0017
As7    .46747   .7081  .01033       .0481  .0391  .0606  .0448  .0003  .0090  .0008
As8    .49761   .0354  .13258       .0421  .0377  .0392  .0487  .0031  .0074 -.0005
As9a    .4085  -.7093   .0103   .67  .057   .076   .045   .059   .001   .032  -.002
As9b    .4224  -.6619   .0197   .33  .022   .011   .016   .036  -.012  -.002  -.005
As10   .40337   .5095  .36345       .0421  .0381  .0453  .0423  .0012  .0070  .0047
As11   .30861   .1850  .49187       .0378  .0374  .0409  .0347  .0055  .0068  .0009
As12   .28781   .5218  .38204       .0678   .118  .0452  .0497 -.0336  .0392 -.0138
Pb13a  .19864   .2524   .5261  .218 .0376   .042   .027   .045  -.007   .012  -.005
As13b  .20500   .1935   .5417  .782 .0515   .046   .037   .078  .0021   .028   .015
As14   .18075   .4819  .36831       .0391  .0308  .0448  .0404  .0008  .0044  .0032
As15   .07986   .1697  .49597       .0440  .0349  .0440  .0488 -.0001 -.0008  .0082
As16   .07553   .4960  .38595       .0485  .0631  .0360  .0404  .0023 -.0029 -.0027
As17   .01729  -.1830  .47361       .0542  .0559  .0583  .0452  .0082  .0028 -.0035
As18   .04364  -.0260  .13245       .0367  .0326  .0374  .0388 -.0002  .0045 -.0060
S1     .05914   .3548   .2860       .0369   .035   .037   .037 -.0041   .002  -.004
S2     .06506  -.0469   .4188       .0513   .059   .037   .055  -.005   .003   .003
S3    -.10464   .2996   .4432       .0413   .034   .049   .040   .000   .007   .007
S4     .09407   .1477   .1533       .0364   .035   .033   .042 -.0021   .009   .001
S5     .17148   .3363   .2698       .0446   .037   .038   .057  -.002   .007  -.011
S6     .19372   .0068   .4287       .0415   .048   .045   .033  -.002   .012   .000
S7     .19347  -.3325   .5384       .0495   .034   .044   .071  -.003   .012   .006
S8     .22449   .1691   .1605       .0440   .039   .045   .047   .001   .006  -.001
S9     .28301   .3747   .2853       .0378   .038   .037   .039  .0022   .009  -.001
S10    .30124  -.0384   .4208       .0483   .055   .036   .056  -.002   .017   .001
S11    .32402  -.1802   .0648       .0640   .074   .048   .063  -.006  -.004  -.011
S12    .31640   .1724   .1581       .0404   .043   .028   .050  -.003   .009   .003
S13    .39195   .3540   .2686       .0462   .037   .040   .059   .004   .006  -.008
S14    .40903  -.5148  -.0741       .0431   .042   .048   .040  -.007   .009  -.002
S15    .42766   .8592   .0598       .0519   .055   .042   .065   .009   .026   .008
S16    .49967   .8788   .2270       .0504   .049   .053   .050  -.012   .013   .000
S17    .47646   .4724   .0782       .0477   .047   .042   .059   .006   .022   .003
S18    .52090   .8488   .0661       .0444   .043   .048   .041   .001   .006   .002
S19    .55163   .1855   .1625       .0409   .038   .039   .046  -.004   .009  -.001
S20    .38472  -.1184   .2156       .0444   .039   .043   .050   .004   .006   .001
S21    .37864  -.5356   .0741       .0413   .037   .041   .044  -.005   .004   .001
S22    .34784   .3424   .4425       .0436   .043   .037   .052  -.002   .011   .003
S23    .35571   .6851   .3407       .0426   .039   .041   .048  -.001   .010  -.004
S24    .27767  -.1522   .2326       .0402   .032   .038   .052  .0004   .011   .002
S25    .25394   .0133   .5763       .0378   .037   .039   .037  -.003   .004  -.001
S26    .25844   .3409   .4415       .0427   .030   .046   .053   .005   .009   .012
S27    .22385   .6686   .3448       .0388   .040   .037   .037   .002   .001  -.006
S28   -.16240   .3520   .2827       .0397   .034   .039   .046  -.002   .006  -.004
S29    .15915   .0510   .5842       .0440   .044   .040   .047   .007   .004   .006
S30    .11955   .3154   .4432       .0439   .035   .052   .043   .002   .006   .007
S31   -.13158   .1553   .1522       .0400   .042   .039   .039   .000   .008   .002
S32   -.05376   .3321   .2670       .0398   .035   .038   .046   .002   .008  -.004
S33   -.02922  -.0020   .4273       .0363   .036   .042   .031  -.004   .006   .001
S34    .03377   .3475   .4558        .068   .035   .048   .116   .001   .003   .022
S35    .00347   .1617   .1550       .0365   .036   .037   .036   .004   .009   .002
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Spriggite
 
Brugger J, Krivovichev S V, Berlepsch P, Meisser N, Ansermet S, Armbruster T
Download am/vol89/AM89_339.pdf
American Mineralogist 89 (2004) 339-347
Spriggite, Pb3[(UO2)6O8(OH)2](H2O)3, a new mineral with beta-U3O8 - type sheets:
Description and crystal structure
_database_code_amcsd 0003406
28.355 11.990 13.998 90 104.248 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)
U1   .12526  .50029  .06516     .0140  .0169  .0101  .0138  .0001  .0018 -.0012
U2   .12394 -.00013 -.18999     .0145  .0181  .0101  .0152  .0005  .0041  .0009
U3   .12656  .30570 -.18581     .0156  .0227   .013  .0100  .0024  .0025  .0000
U4   .12454 -.30597 -.18644     .0156  .0230   .012  .0130 -.0017  .0070  .0005
U5   .12421  .19495  .06122     .0141  .0185  .0123  .0120 -.0005  .0044  .0025
U6   .12516  .80571  .06188     .0144  .0201  .0122  .0109  .0014  .0038 -.0002
Pb1  .24991  .36349 -.29355 .95 .0181  .0291  .0123  .0134  .0055  .0058  .0057
Pb2  .00727  -.3563  -.4060 .64 .0347   .009   .047   .042   .019 -.0064 -.0018
Pb3  .00801   .1418  -.3314 .50 .0316   .015   .045   .036  -.002  .0088  -.007
Pb4  .25059   .3412   .0248 .50 .0253   .027   .019   .034  .0048  .0156  .0056
Pb5   .0081  -.1586  -.3468 .22  .040   .019   .061   .045   .004   .016   .015
Pb6   .0094  -.3548  -.5894 .14  .057   .026   .083   .068  -.012   .023  -.029
Pb7   .2500   .6392  -.3004 .05  .010
O1    .1318  -.1379  -.0963      .032
O2    .1127   .3616   .1436      .039
O3    .0595   .1953   .0130      .032
O4    .1912   .8139   .1059      .032
O5    .0605   .7941   .0145      .032
O6    .0588  -.3071  -.2001      .039
O7    .0628   .3058  -.2080      .039
O8    .1933   .4890   .1207      .039
O9    .1919   .0017  -.1800      .039
O10   .1336   .6486  -.0311      .032
O11   .1921  -.2963  -.1673      .039
O12   .1327   .1361  -.0964      .032
O13   .1277   .3642  -.3452      .032
O14   .1366   .3456  -.0271      .032
O15   .1152   .1543  -.2876      .032
OH16  .1129   .5024  -.2011      .032
OH17  .1108   .0004   .0520      .032
O18   .1150   .1628   .2074      .032
O19   .0612  -.0042  -.2186      .039
O20   .1920   .2979  -.1602      .032
O21   .1913   .1989   .1059      .039
O22   .0594   .5057   .0109      .039
Wat1  .2494   .5136  -.2043 .50  .100
Wat2      0       0     -.5      .100
Wat3  .2379   .3581  -.4772      .100
Wat4  .2467   .5053  -.1564 .50  .100
Wat5      0  -.4937    -.75      .100
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Xilingolite
Download hom/xilingolite.pdf
Berlepsch P, Armbruster T, Makovicky E, Hejny C, Topa D, Graeser S
Download cm/vol39/CM39_1653.pdf
The Canadian Mineralogist 39 (2001) 1653-1663
The crystal structure of (001) twinned xilingolite, Pb3Bi2S6,
from Mittal-Hohtenn, Valais, Switzerland
Locality: Mittal-Hohtenn, Valais, Switzerland
_database_code_amcsd 0005755
13.511 4.0850 20.649 90 92.15 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)
PbM1a .09675 .5 .13585 .67 .0381  .0367  .0428  .0347      0  .0011      0
BiM1a .09675 .5 .13585 .33 .0381  .0367  .0428  .0347      0  .0011      0
PbM1b .91787 .5 .63337 .67 .0399  .0399  .0417  .0380      0 -.0013      0
BiM1b .91787 .5 .63337 .33 .0399  .0399  .0417  .0380      0 -.0013      0
PbM2a .36535 .5 .04701 .67 .0386  .0367  .0407  .0383      0  .0005      0
BiM2a .36535 .5 .04701 .33 .0386  .0367  .0407  .0383      0  .0005      0
BiM2b .63998 .5 .55053     .0363  .0340  .0390  .0357      0 -.0008      0
PbM3  .32697  0 .24043     .0503  .0473  .0456  .0575      0 -.0035      0
S1a    .2360  0  .1007      .045   .045   .047   .043      0  -.003      0
S1b    .7651  0  .5874      .048   .044   .037   .061      0  -.014      0
S2a        0 .5      0      .044   .048   .045   .040      0  -.002      0
S2b        0 .5  .5000      .042   .033   .038   .056      0   .007      0
S3     .1846 .5  .2505      .036   .034   .047   .027      0   .002      0
S4a    .4624 .5  .1649      .042   .045   .047   .033      0   .004      0
S4b    .5569 .5  .6648      .037   .035   .047   .029      0   .001      0
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Ansermetite
 
Brugger J, Berlepsch P, Meisser N, Armbruster T
Download cm/vol41/CM41_1423.pdf
The Canadian Mineralogist 41 (2003) 1423-1431
Ansermetite, MnV2O6.4H2O, a new mineral species with V5+ in five-fold coordination
from Val Ferrera, Eastern Swiss Alps
Locality: Val Ferrera, Eastern Swiss Alps
_database_code_amcsd 0005917
13.171 10.128 6.983 90 111.572 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)
Mn      .25    .25      0      .0188  .0188  .0200  .0188  .0021  .0083 -.0010
V    .10541 .47440 .19330 .975 .0142  .0147  .0166  .0125  .0014  .0067 -.0012
O1    .2047  .5795  .3004      .0254   .028   .028   .022  -.009   .011  -.004
O2    .1601  .3304  .1782      .0241   .029   .024   .024   .005   .014   .002
O3    .3885  .3589  .2165      .0348   .025   .035   .042  -.004   .010  -.007
O4    .9401  .4612  .0788      .0240   .017   .040   .020   .002   .012   .003
O5    .3934  .6246  .1073      .0393   .045   .035   .042  -.004   .022  -.008
H3A    .392   .445   .228        .05
H3B    .426   .296   .234        .05
H5A    .456   .644   .127        .05
H5B    .348   .647   .167        .05
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Putzite
 
Paar W H, Roberts A C, Berlepsch P, Armbruster T, Topa D, Zagler G
Download cm/vol42/CM42_1757.pdf
The Canadian Mineralogist 42 (2004) 1757-1769
Putzite, (Cu4.7Ag3.3)8GeS6, a new mineral species, from Capillitas, Catamarca,
Argentina: Description and crystal structure
Locality: Capillitas, Catamarca, Argentina
_database_code_amcsd 0005995
10.1250 10.1250 10.1250 90 90 90 F-43m
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ge1      0    .5     0     .0127  .0127  .0127  .0127      0      0      0
Cu1    .25   .75 .9804  .5  .059   .072   .072   .034  -.039      0      0
Ag1  .3279 .4713 .1721 .25  .072   .064   .086   .064  -.005  -.021   .005
Cu2   .355  .564  .145 .14  .118
Ag2   .355  .564  .145 .04  .118
S1   .1250 .6250 .1250     .0208  .0208  .0208  .0208 -.0064 -.0064 -.0064
S2     .25   .75   .75      .051   .051   .051   .051      0      0      0
S3   .5206 .5206 .0206 .25  .023   .023   .023   .023  -.006  -.006  -.006
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Pizgrischite
 
Meisser N, Schenk K, Berlepsch P, Brugger J, Bonin M, Criddle A J, Thelin P, Bussy F
Download cm/vol45/CM45_1229.pdf
The Canadian Mineralogist 45 (2007) 1229-1245
Pizgrischite, (Cu,Fe)Cu14PbBi17S35, a new sulfosalt from the Swiss Alps:
Description, crystal structure and occurrence
Locality: Piz Grisch Mountain, Val Ferrera, Graubunden, Switzerland
_database_code_amcsd 0006155
35.095 3.9067 43.222 90 96.71 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)
Pb1  .87808 .5 .28981     .0374  .0262  .0493  .0350      0 -.0040      0
Bi1  .83272 .5 .43024     .0187  .0107  .0149  .0292      0 -.0029      0
Bi2  .43533 .5 .43755     .0206  .0112  .0190  .0299      0 -.0042      0
Bi3  .48725 .5 .29006     .0202  .0143  .0142  .0301      0 -.0057      0
Bi4  .22486 .5 .41883     .0199  .0121  .0172  .0291      0 -.0027      0
Bi5  .54122 .5 .39190     .0192  .0116  .0172  .0273      0 -.0043      0
Bi6  .77605 .5 .33146     .0256  .0141  .0280  .0326      0 -.0058      0
Bi7  .07211 .5 .10866     .0202  .0142  .0191  .0255      0 -.0051      0
Bi8  .11792 .5 .46427     .0220  .0148  .0207  .0288      0 -.0046      0
Bi9  .29783 .5 .15429     .0194  .0127  .0146  .0291      0 -.0056      0
Bi10 .35170 .5 .06782     .0198  .0149  .0144  .0294      0 -.0009      0
Bi11 .62900 .5 .03831     .0200  .0113  .0188  .0281      0 -.0049      0
Bi12 .09069 .5 .29255     .0231  .0171  .0197  .0307      0 -.0054      0
Bi13 .71726  0 .25356     .0251  .0246  .0201  .0283      0 -.0071      0
Bi14 .95322 .5 .06212     .0210  .0125  .0206  .0287      0 -.0024      0
Bi15 .40889 .5 .20603     .0195  .0136  .0153  .0276      0 -.0064      0
Bi16 .11495 .5 .20713     .0219  .0121  .0218  .0304      0 -.0031      0
Bi17 .74597 .5 .07344     .0249  .0115  .0307  .0305      0 -.0059      0
Cu1  .81357 .5 .23153     .0286   .017   .028   .039      0  -.004      0
Cu2  .53261 .5 .03173     .0315   .017   .026   .048      0  -.011      0
Cu3  .63631 .5 .38674     .0341   .022   .024   .057      0   .007      0
Cu4  .28162 .5 .49869     .0326   .028   .025   .041      0  -.012      0
Cu5  .70395 .5 .18146     .0271   .014   .019   .048      0   .002      0
Cu6  .94277 .5 .35623     .0398   .038   .026   .049      0  -.022      0
Cu7  .16616 .5 .12222     .0276   .016   .030   .035      0  -.005      0
Cu8  .02411 .5 .46870     .0314   .026   .026   .043      0   .007      0
Cu9A  .6811 .5  .3236 .43  .029
Cu9B  .6724 .5  .3071 .57  .027
Cu10 .48048 .5 .14103      .051   .030   .075   .046      0  -.002      0
Cu11  .9185 .5 .13739      .055   .090   .021   .064      0   .045      0
Cu12 .00502 .5 .22807     .0387   .041   .029   .042      0  -.013      0
Cu13 .37489 .5 .36494     .0409   .051   .023   .041      0  -.027      0
Cu14 .52719 .5 .19096      .054   .028   .088   .046      0   .001      0
Cu15 .78546 .5 .00309 .77 .0395   .062   .025   .033      0   .012      0
Fe15 .78546 .5 .00309 .23 .0395   .062   .025   .033      0   .012      0
S1    .6732  0 .17639      .016
S2    .3297 .5  .5389      .019
S3    .2879 .5  .3929      .018
S4    .1087 .5 .40303      .014
S5    .5516 .5 .45275      .015
S6    .7687 .5  .1869      .018
S7    .9899 .5  .3965      .019
S8    .6559 .5  .2509      .018
S9    .5827 .5 .16938      .015
S10   .0303 .5  .3229      .018
S11   .5404 .5  .2453      .020
S12   .8734 .5 .17144      .013
S13   .7113  0 .31240      .013
S14   .6827  0 .03947      .014
S15   .3280 .5  .3240      .017
S16   .8818 .5  .0335      .018
S17   .6167 .5  .3301      .019
S18   .5185 .5 .10135      .016
S19   .4292 .5 .32849      .016
S20   .7723 .5  .4705      .022
S21   .4661 .5  .0239      .017
S22   .9842 .5  .1742      .021
S23   .7008 .5  .3805      .017
S24   .8150 .5 .10498      .016
S25   .2815 .5  .0320      .016
S26   .6373 .5  .0991      .019
S27   .7715 .5  .2687      .017
S28   .9593 .5  .4757      .018
S29   .3516 .5 .23875      .016
S30   .8875 .5  .3925      .016
S31   .0662 .5  .0475      .021
S32   .4209 .5  .1095      .024
S33   .9440 .5  .2524      .021
S34   .3728 .5 .46547      .016
S35   .2321 .5  .1151      .019
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Vergasovaite
Download hom/vergasovaite.pdf
Berlepsch P, Armbruster T, Brugger J, Bykova E Y, Kartashov P M
 
European Journal of Mineralogy 11 (1999) 101-110
The crystal structure of vergasovaite Cu3O[(Mo,S)O4SO4],
and its relation to synthetic Cu3O[MoO4]2
_database_code_amcsd 0006764
7.421 6.754 13.624 90 90 90 Pnma
atom      x      y      z  occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1       0      0    1/2      1.62  .0129  .0161  .0195 -.0006 -.0006 -.0013
Cu2   .8367   -1/4 .34104      2.27  .0320  .0219  .0142      0 -.0023      0
Cu3   .6731   -1/4 .55569      2.29  .0212  .0199  .0276      0  .0096      0
Mo1  .74740    1/4 .31217 .742 1.53  .0130  .0157  .0172      0 -.0005      0
S1   .74740    1/4 .31217 .258 1.53  .0130  .0157  .0172      0 -.0005      0
S2    .3355   -1/4  .3980      1.97  .0176  .0208  .0206      0  .0019      0
O1    .8920   -1/4  .4794      1.48   .016   .016   .013      0   .004      0
O2    .7738   -1/4  .2033       4.4   .075   .035   .023      0   .000      0
O3    .5336   -1/4  .4075       4.0   .019   .037   .063      0   .014      0
O4    .2625 -.0727  .4470      2.63   .021   .030   .028  -.004   .002   .001
O5    .8665  .0405  .3466      2.62   .028   .026   .025   .003  -.001  -.007
O6    .7031    1/4  .1915       3.7   .036   .027   .049      0  -.006      0
O7    .5456    1/4  .3738       3.4   .029   .038   .037      0   .014      0
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Nabiasite
Download hom/nabiasite.pdf
Brugger J, Bonin M, Schenk K J, Meisser N, Berlepsch P, Ragu A
 
European Journal of Mineralogy 11 (1999) 879-890
Description and crystal structure of nabiasite, BaMn9[(V,As)O4]6(OH)2,
a new mineral from the Central Pyrenees (France)
Locality: Central Pyrenees, France
_database_code_amcsd 0006798
12.832 12.832 12.832 90 90 90 Pa3
atom      x      y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba        0      0      0      .017   .017   .017   .017   .003   .003   .003
Mn1     -.5      0      0      .011  .0114  .0114  .0114     .0     .0     .0
Mn2  -.3242  .1758  .3242      .012  .0118  .0118  .0118 -.0004 -.0004  .0004
Mn3  -.3051  .0054  .1590      .014  .0164  .0135  .0129 -.0008 -.0023 -.0016
V    -.2542  .0726 -.0930 .897 .009  .0094  .0091  .0097 -.0004  .0003  .0004
As   -.2542  .0726 -.0930 .103 .009  .0094  .0091  .0097 -.0004  .0003  .0004
O1   -.3308 -.0030 -.0074      .013   .014   .014   .012   .001     .0   .002
O2   -.1561  .1678  .3272      .014   .012   .015   .014  -.001     .0   .002
O3   -.3299  .1798  .4912      .014   .014   .015   .012     .0     .0   .003
O4   -.1701  .1414 -.0207      .016   .016   .017   .015  -.001  -.001  -.002
O5   -.3456 -.1544  .1544      .014   .015   .015   .015   .003  -.003   .003
H    -.3138 -.1862  .1862      .028
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Felbertalite
Download hom/felbertalite.pdf
Topa D, Makovicky E, Balic-Zunic T, Berlepsch P
 
European Journal of Mineralogy 12 (2000) 825-833
The crystal structure of Cu2Pb6Bi8S19
_database_code_amcsd 0006838
27.637 4.0499 20.741 90 131.258 90 C2/m
atom       x  y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu    .03853 .5 .09196 .0290  .0297  .0292  .0304      0  .0208      0
Pb1   .19107 .5 .21713 .0296  .0310  .0259  .0411      0  .0276      0
Pb2   .39771 .5 .40815 .0254  .0311  .0239  .0289      0  .0231      0
Pb3  -.00530 .5 .34865 .0211  .0267  .0176  .0256      0  .0201      0
Bi1   .29875  0 .46284 .0183  .0225  .0147  .0220      0  .0166      0
Bi2   .09694  0 .29559 .0162  .0227  .0153  .0174      0  .0162      0
Bi3   .39977 .5 .04582 .0227  .0292  .0185  .0332      0  .0260      0
Bi4   .27538 .5 .10214 .0223  .0268  .0225  .0241      0  .0196      0
S1         0 .5     .5 .0177  .0269  .0168  .0146      0  .0158      0
S2    .00539 .5 .22587 .0186  .0214  .0218  .0196      0  .0166      0
S3    .10170  0 .45155 .0201  .0278  .0193  .0191      0  .0179      0
S4    .08753  0 .16298 .0146  .0237  .0111  .0200      0  .0190      0
S5    .07096 .5 .00742 .0171  .0250  .0172  .0222      0  .0213      0
S6    .19820 .5 .37247 .0233  .0238  .0206  .0241      0  .0151      0
S7    .20987  0 .11473 .0181  .0307  .0150  .0217      0  .0229      0
S8    .29744  0 .33258 .0188  .0266  .0127  .0210      0  .0173      0
S9    .40665 .5 .27651 .0290  .0326  .0224  .0211      0  .0131      0
S10   .32686  0 .06533 .0144  .0166  .0165  .0176      0  .0145      0
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Krettnichite
 
Brugger J, Armbruster T, Criddle A J, Berlepsch P, Graeser S, Reeves S
 
European Journal of Mineralogy 13 (2001) 145-158
Description, crystal structure, and paragenesis of krettnichite,
PbMn2(VO4)2(OH)2, the Mn3+ analogue of mounanaite
_database_code_amcsd 0006853
9.2953 6.2894 7.6906 90 118.068 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)
Pb       0     0     0 .83 .0221  .0231  .0177  .0251      0  .0109      0
Sr       0     0     0 .17 .0221  .0231  .0177  .0251      0  .0109      0
Mn     1/4   1/4   1/2     .0124  .0122  .0113  .0138 -.0005  .0062 -.0011
V    .9213   1/2 .2189     .0107  .0101  .0102   .013      0  .0060      0
OH1  .3365   1/2  .420      .016   .010   .014   .020      0   .005      0
O2    .315     0  .351      .020   .022   .020   .023      0   .013      0
O3   .0432 .2737 .2645      .017   .016   .015   .018   .001   .008  -.002
O4    .219   1/2  .012      .027   .025   .027   .022      0   .005      0
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SnGeS3
 
Sejkora J, Berlepsch P, Makovicky E, Balic-Zunic T
 
European Journal of Mineralogy 13 (2001) 791-800
Natural SnGeS3 from Radvanice near Trutnov (Czech Republic):
its description, crystal structure refinement and solid solution with PbGeS3
Locality: Radvanice near Trutnov, Czech Republic
_database_code_amcsd 0006896
7.2704 10.197 6.8463 90 105.34 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)
Sn1  .87533 .08152 .22624 .0258  .0228  .0288  .0245  .0022  .0039  .0036
Ge1  .31887 .20837 .49671 .0159  .0177  .0155  .0152  .0000  .0054  .0002
S1    .2241  .0054  .4132 .0170  .0165  .0130  .0211  .0004  .0042  .0013
S2    .5126  .2158  .8144 .0189  .0140  .0295  .0134  .0021  .0038 -.0041
S3    .9481  .8217  .0809 .0185  .0191  .0171  .0193 -.0049  .0052  .0006
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Diaphorite
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Armbruster T, Makovicky E, Berlepsch P, Sejkora J
 
European Journal of Mineralogy 15 (2003) 137-146
Crystal structure, cation ordering, and polytypic character of diaphorite,
Pb2Ag3Sb3S8, a PbS-based structure
_database_code_amcsd 0006959
17.8520 5.8870 15.8090 90 116.165 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)
Pb1   .18973 -.31003 .54127      .02062  .0184  .0194  .0237 .00031 .00901 .00138
AgM1  .06451  .19426 .34402 .516  .0274  .0241  .0305  .0302 -.0002  .0144  .0019
PbM1  .06451  .19426 .34402 .484  .0274  .0241  .0305  .0302 -.0002  .0144  .0019
AgM2  .30967  .28176 .22247 .596  .0302  .0282  .0349  .0190 -.0021  .0027  .0012
PbM2  .30967  .28176 .22247 .404  .0302  .0282  .0349  .0190 -.0021  .0027  .0012
Ag3   .43323   .7581 .14479       .0436  .0519  .0362  .0634 -.0028  .0443  .0001
Ag4   .19471   .7117 .28096       .0488  .0519  .0411  .0298 -.0007 -.0035  .0039
Sb1   .31616  .21030 .46489      .01691  .0150  .0146  .0200 -.0001  .0066 -.0011
Sb2   .43998  .76228 .39980      .01630  .0159  .0147  .0180  .0007  .0072 -.0005
Sb3  -.06306 -.28248 .39950      .01611  .0151  .0157  .0174  .0007  .0070  .0022
S1    .21050   .1518  .5268       .0258  .0274  .0165  .0451  .0004  .0266  .0014
S2   -.07340   .1276  .3823       .0248  .0317  .0181  .0264  .0037  .0145  .0010
S3    .29638   .6251 .45152       .0171  .0167  .0148  .0202  .0000  .0085  .0002
S4    .17373   .1536  .2598       .0291  .0204  .0308  .0246  .0034 -.0006  .0012
S5    .44417   .3501  .3896       .0235  .0301  .0150  .0332 -.0001  .0210 -.0001
S6    .05450   .6754 .35830       .0203  .0144  .0256  .0207  .0003  .0077 -.0015
S7    .34461   .8159 .23088       .0223  .0183  .0277  .0162  .0028  .0031  .0014
S8    .43137   .1945 .62829       .0189  .0129  .0228  .0187 -.0005  .0050  .0028
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Struvite-(K)
 
Graeser S, Postl W, Bojar H P, Berlepsch P, Armbruster T, Raber T, Ettinger K, Walter F
 
European Journal of Mineralogy 20 (2008) 629-633
Struvite-(K), KMgPO4*6H2O, the potassium equivalent of struvite - a new mineral
Locality: Lengenbach, Switzerland
_database_code_amcsd 0007262
6.892 6.166 11.139 90 90 90 Pmn2_1
atom     x      y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        0  .3662 .0032 .0586   .069  .0497   .057      0      0  .0120
Mg       0  .3825 .6492 .0201  .0220  .0169  .0215      0      0  .0018
P        0 -.0073 .2756 .0169  .0184  .0148  .0174      0      0 -.0007
O1       0 -.0214 .1381 .0275   .029   .028   .026      0      0   .003
O2       0 -.2381 .3293 .0272   .035   .018   .028      0      0   .006
O3   .1820  .1109 .3186 .0239  .0228  .0218   .027 -.0017   .002  -.003
O4     1/2  .3104 .0627  .049   .097   .021   .029      0      0      0
O5     1/2  .9147 .2409  .042   .020   .036   .071      0      0  -.031
O6   .2209  .2690 .5387 .0309   .027   .048   .018   .007   .001  -.005
O7   .2892  .5110 .2642 .0400   .041   .023   .056   .005   .024   .013
H41    1/2   .300 -.016  .037
H42    1/2   .256  .134  .037
H51   .391   .985  .251  .037
H61   .195   .251  .467  .037
H62   .303   .196  .584  .037
H71   .238   .401  .278  .037
H72   .186   .578  .290  .037
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Rathite
Download hom/rathite.pdf
Berlepsch P, Armbruster T, Topa D
Download zk/vol217/ZK217_581.pdf
Zeitschrift fur Kristallographie 217 (2002) 581-590
Structural and chemical variations in rathite, Pb8Pb4-x(Tl2As2)x(Ag2As2)As16S40:
modulations of a parent structure
Locality: Valais, Switzerland
_database_code_amcsd 0011095
8.496 7.969 25.122 90 100.704 90 P2_1/c
atom      x      y       z  occ   Uiso
Pb1  .47494 .75704 .205583      .04036
Pb2  .98078 .74922  .20540      .05976
Pb3  .90270 .08494  .07178 .739  .0379
Ag    .4162  .0111   .0772 .474  .0448
As1  .29987 .85369  .34169       .0274
As2  .24640 .33506  .14689       .0311
As3   .6847  .6605   .0417 .735  .0437
As4  .13800 .67143  .05873       .0276
As5   .4257  .0252   .0510 .526  .0352
As6   .8732  .0374   .0780 .261   .075
Sb1   .6884  .6243   .0380 .265   .066
S1    .2564  .9974  .26341       .0313
S2    .2476  .4798  .22331       .0274
S3    .5068  .6830  .32623       .0262
S4    .9017  .1712  .17828       .0321
S5    .6976  .8377  .11176       .0291
S6    .1656  .8802  .12022       .0320
S7    .3641  .5211  .09716       .0289
S8    .9572  .5086  .08998       .0404
S9    .5888  .1974  .01482       .0434
S10   .1794  .1800  .01016       .0321
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Tripuhyite
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Berlepsch P, Armbruster T, Brugger J, Criddle A J, Graeser S
Download mm/vol67/MM67_31.pdf
Mineralogical Magazine 67 (2003) 31-46
Tripuhyte, FeSbO4, revisited
Locality: Tripuhy, Minas Gerais, Brazil
_database_code_amcsd 0014565
4.625 4.625 3.059 90 90 90 P4_2/mnm
atom     x    y z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe       0    0 0 .47 .0136  .0164  .0164    .08   -.01      0      0
Sb       0    0 0 .53 .0136  .0164  .0164    .08   -.01      0      0
O    -.304 .304 0      .008
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Tripuhyite
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Berlepsch P, Armbruster T, Brugger J, Criddle A J, Graeser S
Download mm/vol67/MM67_31.pdf
Mineralogical Magazine 67 (2003) 31-46
Tripuhyte, FeSbO4, revisited
Locality: Falotta, Grisons, Switzerland
_database_code_amcsd 0014566
4.6433 4.6433 3.0815 90 90 90 P4_2/mnm
atom    x     y  z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe      0     0  0 .53 .0070  .0091  .0091  .0029  .0007      0      0
Sb      0     0  0 .47 .0070  .0091  .0091  .0029  .0007      0      0
O    .193 -.193 .5      .006
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Teallite
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Sejkora J, Berlepsch P, Makovicky E, Balic-Zunic T, Litochleb J
 
Neues Jahrbuch fur Mineralogie, Abhandlungen 177 (2002) 163-180
Teallite from Radvanice near Trutnov (Czech Republic)
Sample: Isotropic refinement
Locality: Radvanice near Trutnov, Czech Republic
_database_code_amcsd 0014721
11.4085 4.0860 4.2813 90 90 90 Pnma
atom     x   y     z occ  Uiso
Pb   .1133 .25 .1128 .39 .0192
Sn   .1295 .25 .1044 .61 .0187
S    .3532 .25  .029 .93  .021
Se   .3532 .25  .029 .07  .021
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Teallite
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Sejkora J, Berlepsch P, Makovicky E, Balic-Zunic T, Litochleb J
 
Neues Jahrbuch fur Mineralogie, Abhandlungen 177 (2002) 163-180
Teallite from Radvanice near Trutnov (Czech Republic)
Sample: Anisotropic refinement
Locality: Radvanice near Trutnov, Czech Republic
_database_code_amcsd 0014722
11.4085 4.0860 4.2813 90 90 90 Pnma
atom     x   y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb   .1207 .25 .1089 .41 .0221  .0283  .0182  .0198      0 -.0016      0
Sn   .1207 .25 .1089 .59 .0221  .0265  .0169  .0176      0  .0004      0
S    .3533 .25 .0290 .93  .020
Se   .3533 .25 .0290 .07  .020
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Edenharterite
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Berlepsch P
 
Schweizerische Mineralogische und Petrographische Mitteilungen 76 (1996) 147-157
Crystal structure and crystal chemistry of the homeotypes edenharterite
(TlPbAs3S6) and jentschite (TlPbAs2SbS6) from Lengenbach, Binntal (Switzerland)
Locality: Lengenbach quarry, Binntal, Valais, Switzerland
_database_code_amcsd 0015410
15.4764 47.602 5.8489 90 90 90 Fdd2
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Tl    .2952 .03053  .1850     .0346  .0551  .0325  .0243 -.0054 -.0053  .0035
Pb   .02544 .12228 -.0008     .0201  .0402  .0169  .0120 -.0001 -.0002 -.0001
As1   .0120 .03411  .1156 .93 .0240   .040   .017   .022  -.001  -.004  -.004
Sb    .0120 .03411  .1156 .07 .0240   .040   .017   .022  -.001  -.004  -.004
As2   .0962 .07577  .5656     .0197   .036   .015   .014   .001   .002  -.001
As3   .3029 .08303  .7757     .0199   .035   .020   .011   .000  -.003   .001
S1    .3927  .0045   .621     .0232   .028   .016   .029  -.002  -.006  -.001
S2    .4975  .0405   .001     .0258   .042   .028   .021  -.011   .009  -.010
S3    .1425  .0809   .204     .0180   .038   .019   .008   .002   .001   .001
S4    .2068  .0470   .682     .0205   .039   .013   .021  -.005  -.011   .002
S5   -.1157  .0815  -.041     .0210   .035   .017   .018   .001   .006  -.005
S6    .2209  .1213   .708     .0208   .041   .016   .014  -.002   .002  -.002
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Jentschite
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Berlepsch P
 
Schweizerische Mineralogische und Petrographische Mitteilungen 76 (1996) 147-157
Crystal structure and crystal chemistry of the homeotypes edenharterite
(TlPbAs3S6) and jentschite (TlPbAs2SbS6) from Lengenbach, Binntal (Switzerland)
Locality: Lengenbach quarry, Binntal, Valais, Switzerland
_database_code_amcsd 0015411
8.0958 23.917 5.8876 90 108.063 90 P2_1/n
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Tl    .0964 .06125  .8597     .0344  .0392  .0304  .0398 -.0057  .0164  .0031
Pb    .0586 .25436  .9145     .0195  .0279  .0130  .0266 -.0010  .0149  .0000
Sb   -.4625 .07058  .4896 .55 .0195   .022  .0139   .030  .0040  .0086 -.0062
As1  -.4625 .07058  .4896 .45 .0195   .022  .0139   .030  .0040  .0086 -.0062
As2  -.3126 .15277  .0354     .0150   .019   .010   .024  .0005  .0116  -.029
As3   .0966 .16492  .4450     .0188   .024   .015   .022  .0001   .012  .0009
S1    .2784  .0122   .392     .0221   .022   .013   .038  -.002   .008  -.000
S2    .4908  .0839   .869     .0244   .031   .027   .032  -.013   .020  -.008
S3   -.2097  .1637  .7283     .0182   .023   .014   .026  -.002   .014   .000
S4   -.0976  .0944   .257     .0184   .024   .011   .029   .001   .012   .005
S5    .2732  .1634   .220     .0191   .021   .013   .035  -.001   .015  -.002
S6   -.0612  .2426   .308     .0163   .025   .009   .032  -.001   .019  -.002
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Graeserite
 
Berlepsch P, Armbruster T
 
Schweizerische Mineralogische und Petrographische Mitteilungen 78 (1998) 1-9
The crystal structure of Pb2+-bearing graeserite, Pb0.14(Fe,Ti)7AsO12+x(OH)2-x,
a mineral of the derbylite group
Locality: Gorb, Binn valley, Western Alps, Switzerland
_database_code_amcsd 0015412
5.0053 14.272 7.1736 90 105.165 90 C2/m
atom      x      y     z   occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb    -.456     .5 .9367   .07  2.5   .002   .018   .043      0  -.017      0
FeM1      0     .5    .5 .5714  .66  .0080  .0059  .0107      0  .0014      0
TiM1      0     .5    .5 .4286  .66  .0080  .0059  .0107      0  .0014      0
FeM2     .5 .62037    .5 .5714  .65  .0086  .0074  .0088      0  .0024      0
TiM2     .5 .62037    .5 .4286  .65  .0086  .0074  .0088      0  .0024      0
FeM3 -.3756 .81093 .8136 .5714  .61  .0078  .0072  .0085  .0013  .0026  .0008
TiM3 -.3756 .81093 .8136 .4286  .61  .0078  .0072  .0085  .0013  .0026  .0008
As   -.2515     .5 .9169    .5  .96   .022  .0052  .0079      0  .0003      0
O1   -.2702  .9016 .6626       1.08   .016   .012   .014   .000   .006  -.002
O2   -.2608  .7046 .6798        .94   .012   .013   .011   .000   .004  -.002
O3       .5  .7139     0        .90   .014   .009   .013      0   .005      0
O4       .5  .9041     0       1.17   .020   .010   .016      0   .006      0
O5    -.279     .5 .6500    .5 1.02   .012   .012   .018      0   .010      0
OH5   -.279     .5 .6500    .5 1.02   .012   .012   .018      0   .010      0
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Total number of retrieved datasets: 25
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