American Mineralogist Crystal Structure Database

74 matching records for this search.

Carlfriesite
Download hom/carlfriesite.pdf
Effenberger H, Zemann J, Mayer H
Download am/vol63/AM63_847.pdf
American Mineralogist 63 (1978) 847-852
Carlfriesite: crystal structure, revision of chemical formula, and synthesis
_database_code_amcsd 0000684
12.576 5.662 9.994 90 115.56 90 C2/c
atom      x      y      z Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)  B(1,3)   B(2,3)
Te1  .71563 .58751 .85825      .001651 .006691 .002070 -.000023 .000875 -.000421
Te2       0      0      0      .001031 .005186 .000895 -.000241 .000269 -.000010
Ca        0  .4404    .25      .000660 .003509 .001353        0 .000073        0
O1    .0804  .2183  .6616  .76
O2    .0980  .2441  .1171  .83
O3    .1043  .0928  .4068  .56
O4    .6839  .1042  .4098  .67
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Krausite
Download hom/krausite.pdf
Effenberger H, Pertlik F, Zemann J
Download am/vol71/AM71_202.pdf
American Mineralogist 71 (1986) 202-205
Refinement of the crystal structure of krausite: a mineral with an
interpolyhedral oxygen-oxygen contact shorter than the hydrogen bond
_database_code_amcsd 0001008
7.920 5.146 9.014 90 102.76 90 P2_1/m
atom     x     y     z Biso    B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
K    .5746   .25 .2150        .004483 .018220 .005919        0  .000663        0
Fe   .0896   .25 .2278        .005196 .009346 .003849        0  .001068        0
S1   .6653   .25 .6531        .005237 .009535 .005046        0  .000037        0
O1   .7399   .25 .5191        .011229 .017465 .005790        0  .001693        0
O2   .4794   .25 .6210        .004777 .023130 .010254        0 -.000920        0
O3   .7287 .0179 .7499        .007710 .011518 .006760  .003962  .002393  .002100
S2   .1554   .25 .8817        .004148 .007647 .003817        0  .001141        0
O4   .0619   .25 .0062        .007458 .008591 .004108        0  .001878        0
O5   .3414   .25 .9354        .003813 .023979 .007019        0 -.000258        0
O6   .1014 .0167 .7861        .007207 .011612 .006178 -.002453  .003129 -.002542
O7   .1035   .25 .4554        .011732 .016804 .005434        0  .000699        0
H     .145  .368  .488  .70
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Tschortnerite
 
Effenberger H, Giester G, Krause W, Bernhardt H J
Download am/vol83/AM83_607.pdf
American Mineralogist 83 (1998) 607-617
Tschortnerite, a copper-bearing zeolite from the Bellberg volcano, Eifel,
Germany
_database_code_amcsd 0002008
31.62 31.62 31.62 90 90 90 Fm3m
atom       x      y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1   .09965 .09965 .09965            .0259  .0259  .0259  .0021  .0021  .0021
Ca2   .20984 .20984 .20984            .0156  .0156  .0156 -.0011 -.0011 -.0011
CaM   .17945 .27909      0  .27       .0384  .0407  .0229 -.0110      0      0
SrM   .17945 .27909      0  .18       .0384  .0407  .0229 -.0110      0      0
KM    .17945 .27909      0  .12       .0384  .0407  .0229 -.0110      0      0
BaM   .17945 .27909      0  .05       .0384  .0407  .0229 -.0110      0      0
Cu    .07339 .07339      0            .0308  .0308  .0263 -.0013      0      0
Si1   .10993 .18083 .24967   .5       .0119  .0117  .0112  .0005 -.0008 -.0016
Al1   .10993 .18083 .24967   .5       .0119  .0117  .0112  .0005 -.0008 -.0016
Si2   .05044 .12239 .19243   .5       .0101  .0119  .0141  .0007 -.0016 -.0008
Al2   .05044 .12239 .19243   .5       .0101  .0119  .0141  .0007 -.0016 -.0008
Ot1   .06740 .15559 .23003            .0174  .0212  .0188 -.0022  .0002 -.0026
Ot2   .21169 .21169 .13239            .0200  .0200  .0123 -.0002 -.0001 -.0001
Ot3   .21022 .21022 .40798            .0164  .0164  .0174  .0039 -.0014 -.0014
Ot4   .14640 .14640 .26611            .0254  .0254  .0147  .0051  .0000  .0000
Ot5   .14402 .14402 .05687            .0180  .0180  .0430 -.0012 -.0017 -.0017
Ot6   .07720 .07720 .19159            .0190  .0190  .0385  .0064 -.0046 -.0046
Ot7   .11259 .20286      0            .0310  .0366  .0105 -.0048      0      0
OH1   .04506 .04506 .10539            .0256  .0256  .0308  .0022 -.0005 -.0005
OH2   .28335 .28335 .28335            .0164  .0164  .0164  .0002  .0002  .0002
ClX        0      0      0 .224 .011
Wat1    .041      0      0 .181 .068
Wat2   .0262  .0262  .0262 .243 .050
WatD6  .1467  .1467  .1467      .123
Wat8   .0159  .1842      0 .305 .111
WatD8  .2087  .2339      0   .5 .047
WatT1  .0085  .1316  .3048 .220 .132
WatT2  .3599  .3599  .3599      .072
WatT3  .0336  .0336  .2642 .195  .10
WatT4  .0714  .0888  .3105 .189  .10
WatT5  .0514  .1204  .3298 .400 .213
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Nagyagite
Download hom/nagyagite.pdf
Effenberger H, Paar W H, Topa D, Culetto F J, Giester G
Download am/vol84/AM84_669.pdf
American Mineralogist 84 (1999) 669-676
Toward the crystal structure of nagyagite, [Pb(Pb,Sb)S2][(Au,Te)]
_database_code_amcsd 0002222
4.220 4.176 15.119 90 95.42 90 P2_1/m
atom      x   y       z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1  .16212 .25  .80260       .0351  .0325  .0371      0  .0026      0
Sb2   .3578 .25  .40183 .524  .0443  .0274  .0326      0  .0087      0
Pb2   .3578 .25  .40183 .476  .0443  .0274  .0326      0  .0087      0
Te    .7364 .25 -.00056 .867  .0518  .0357  .0286      0  .0050      0
Au    .7364 .25 -.00056 .133  .0518  .0357  .0286      0  .0050      0
S1    .3484 .25   .2323        .025   .021   .037      0  .0080      0
S2    .0744 .25   .6111        .035   .060   .026      0  .0077      0
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Neustadtelite
Download hom/neustadtelite.pdf
Krause W, Bernhardt H J, McCammon C A, Effenberger H
Download am/vol87/AM87_726.pdf
American Mineralogist 87 (2002) 726-738
Neustadtelite and cobaltneustadtelite, the Fe- and Co- analogues of medenbachite
_database_code_amcsd 0002815
4.566 6.158 8.972 95.52 99.51 92.85 P-1
atom     x     y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1  .1615 .2955  .4012 .49  .0404  .0272  .0253  .0153  .0036  .0010
Ca1  .1615 .2955  .4012 .01  .0404  .0272  .0253  .0153  .0036  .0010
Bi2  .2590 .3225  .3934 .49  .0350  .0247  .0253  .0114  .0031  .0023
Ca2  .2590 .3225  .3934 .01  .0350  .0247  .0253  .0114  .0031  .0023
FeM1     0     0      0      .0194  .0188  .0191  .0070  .0017  .0018
FeM2     0    .5      0  .5  .0171  .0147  .0177  .0054  .0038  .0045
CoM2     0    .5      0 .38  .0171  .0147  .0177  .0054  .0038  .0045
NiM2     0    .5      0 .04  .0171  .0147  .0177  .0054  .0038  .0045
AlM2     0    .5      0 .05  .0171  .0147  .0177  .0054  .0038  .0045
ZnM2     0    .5      0 .01  .0171  .0147  .0177  .0054  .0038  .0045
CuM2     0    .5      0 .01  .0171  .0147  .0177  .0054  .0038  .0045
As   .5462 .7913 .21425      .0208  .0189  .0196  .0075  .0029  .0031
O1   .3281 .5603  .1963       .025   .020   .032   .007   .003   .011
OH2  .1531 .7427  .8902       .024   .022   .025   .003  -.003   .007
O3   .3443 .0063  .1764       .015   .026   .028   .004  -.001   .007
O4   .2269 .2422  .9198       .028   .026   .018   .013   .007   .002
O5   .2699 .6196  .5353       .026   .040   .020   .005  -.004  -.008
O6   .2472 .1436  .6133       .034   .040   .025   .007  -.007  -.003
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Cobaltneustadtelite
 
Krause W, Bernhardt H J, McCammon C A, Effenberger H
Download am/vol87/AM87_726.pdf
American Mineralogist 87 (2002) 726-738
Neustadtelite and cobaltneustadtelite, the Fe- and Co- analogues of medenbachite
_database_code_amcsd 0002816
9.144 6.146 9.337 83.30 70.67 87.14 P-1
atom       x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi12  .09029 .31050 .60632       .0624  .0265  .0215 -.0173 -.0141 -.0004
Bi1    .6241  .2935  .5993 .475  .0473  .0355  .0273 -.0148 -.0094 -.0034
Ca1    .6241  .2935  .5993 .025  .0473  .0355  .0273 -.0148 -.0094 -.0034
Bi2    .5601  .3258  .6115 .475  .0426  .0310  .0269 -.0091 -.0130 -.0014
Ca2    .5601  .3258  .6115 .025  .0426  .0310  .0269 -.0091 -.0130 -.0014
FeM1       0      0      0       .0102  .0177  .0159  .0003 -.0052 -.0031
FeM2       0     .5      0  .63  .0144  .0181  .0193  .0042 -.0071 -.0070
CoM2       0     .5      0  .16  .0144  .0181  .0193  .0042 -.0071 -.0070
NiM2       0     .5      0  .19  .0144  .0181  .0193  .0042 -.0071 -.0070
ZnM2       0     .5      0  .02  .0144  .0181  .0193  .0042 -.0071 -.0070
As     .1666  .2080  .2147       .0172  .0186  .0169  .0013 -.0080 -.0047
O1     .0658  .4426  .1952        .009   .027   .015   .012   .001  -.001
OH2    .1318  .2563  .8879        .004   .025   .019   .003  -.001  -.005
O3     .0800 -.0081  .1801        .018   .018   .027   .001  -.012   .000
O4     .3445  .2432  .0832        .019   .022   .021   .010  -.009  -.016
OH5    .1296  .6231  .4666   .5   .006   .040   .027  -.008  -.009   .013
O5     .1296  .6231  .4666   .5   .006   .040   .027  -.008  -.009   .013
O6     .1824  .1427  .3897        .039   .050   .027   .018  -.028  -.006
FeM1*     .5      0      0       .0102  .0177  .0159  .0003 -.0052 -.0031
FeM2*     .5     .5      0  .63  .0144  .0181  .0193  .0042 -.0071 -.0070
CoM2*     .5     .5      0  .16  .0144  .0181  .0193  .0042 -.0071 -.0070
NiM2*     .5     .5      0  .19  .0144  .0181  .0193  .0042 -.0071 -.0070
ZnM2*     .5     .5      0  .02  .0144  .0181  .0193  .0042 -.0071 -.0070
As*    .6666  .2080  .2147       .0172  .0186  .0169  .0013 -.0080 -.0047
O1*    .5658  .4426  .1952        .009   .027   .015   .012   .001  -.001
OH2*   .6318  .2563  .8879        .004   .025   .019   .003  -.001  -.005
O3*    .5800 -.0081  .1801        .018   .018   .027   .001  -.012   .000
O4*    .8445  .2432  .0832        .019   .022   .021   .010  -.009  -.016
OH5*   .6296  .6231  .4666   .5   .006   .040   .027  -.008  -.009   .013
O5*    .6296  .6231  .4666   .5   .006   .040   .027  -.008  -.009   .013
O6*    .6824  .1427  .3897        .039   .050   .027   .018  -.028  -.006
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Medenbachite
Download hom/medenbachite.pdf
Krause W, Bernhardt H J, McCammon C A, Effenberger H
Download am/vol87/AM87_726.pdf
American Mineralogist 87 (2002) 726-738
Neustadtelite and cobaltneustadtelite, the Fe- and Co- analogues of medenbachite
_database_code_amcsd 0002817
9.162 6.178 9.341 83.50 71.04 85.15 P-1
atom       x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi12  .09222 .3115 .6089       .0308  .0160  .0117 -.0015 -.0066 -.0016
Bi1    .6361 .2892 .5986   .5   .050   .048   .032  -.008  -.011   .002
Bi2    .5520 .3308 .6168   .5   .053   .039   .029  -.003  -.011  -.005
FeM1       0     0     0        .024   .027   .021   .000  -.008  -.002
CuM2       0    .5     0        .027   .022   .025   .004  -.010  -.006
As     .1610 .1995 .2180       .0302  .0265  .0204  .0011 -.0094 -.0035
O1     .0600  .436 .1982        .016   .029   .033  -.001  -.010  -.005
OH2    .1244  .254 .9000        .026   .037   .021  -.003  -.013  -.006
O3     .0765 -.012 .1844        .036   .022   .035   .008  -.023  -.008
O4     .3365  .230 .0830        .047   .036   .016   .020  -.008  -.013
OH5    .1322  .618 .4591   .5   .033   .037   .040  -.006  -.021   .001
O5     .1322  .618 .4591   .5   .033   .037   .040  -.006  -.021   .001
O6     .1830  .142 .3904        .031   .044   .017   .003  -.005  -.004
FeM1*     .5     0     0        .024   .027   .021   .000  -.008  -.002
CuM2*     .5    .5     0        .027   .022   .025   .004  -.010  -.006
As*    .6610 .1995 .2180       .0302  .0265  .0204  .0011 -.0094 -.0035
O1*    .5600  .436 .1982        .016   .029   .033  -.001  -.010  -.005
OH2*   .6244  .254 .9000        .026   .037   .021  -.003  -.013  -.006
O3*    .5765 -.012 .1844        .036   .022   .035   .008  -.023  -.008
O4*    .8365  .230 .0830        .047   .036   .016   .020  -.008  -.013
OH5*   .6322  .618 .4591   .5   .033   .037   .040  -.006  -.021   .001
O5*    .6322  .618 .4591   .5   .033   .037   .040  -.006  -.021   .001
O6*    .6830  .142 .3904        .031   .044   .017   .003  -.005  -.004
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Baumstarkite
Download hom/baumstarkite.pdf
Effenberger H, Paar W H, Topa D, Criddle A J, Fleck M
Download am/vol87/AM87_753.pdf
American Mineralogist 87 (2002) 753-764
The new mineral baumstarkite and a structural reinvestigation of
aramayoite and miargyrite
_database_code_amcsd 0002820
7.766 8.322 8.814 100.62 104.03 90.22 P-1
atom      x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ag1  .10810 .42584 .14892       .0526  .0438  .0660  .0228  .0186  .0089
Ag2  .29748 .07224 .84390       .0518  .0422  .0643 -.0126  .0208  .0095
Ag3  .01456 .74128 .49807       .0357  .0465  .0311  .0024  .0068  .0097
Sb1  .63539 .41859 .16628 .994  .0232  .0183  .0247  .0027  .0070  .0046
As1  .63539 .41859 .16628 .006  .0232  .0183  .0247  .0027  .0070  .0046
Sb2  .17282 .91999 .17039 .966  .0229  .0177  .0241  .0035  .0053  .0035
As2  .17282 .91999 .17039 .034  .0229  .0177  .0241  .0035  .0053  .0035
Sb3  .48601 .24662 .49470 .974  .0248  .0193  .0272  .0020  .0073  .0018
Bi3  .48601 .24662 .49470 .026  .0248  .0193  .0272  .0020  .0073  .0018
S1    .8531  .2103  .2033       .0242  .0200  .0287  .0058  .0075  .0049
S2    .3751  .2545  .1731       .0237  .0241  .0251  .0002  .0063  .0057
S3    .7238  .5306  .4623       .0239  .0189  .0248  .0034  .0043  .0013
S4   -.0219  .7031  .1989       .0266  .0223  .0305 -.0003  .0087  .0025
S5    .4430  .7655  .1869       .0252  .0219  .0254  .0064  .0072  .0051
S6    .2447  .0324  .4631       .0255  .0195  .0253  .0001  .0088  .0009
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Aramayoite
Download hom/aramayoite.pdf
Effenberger H, Paar W H, Topa D, Criddle A J, Fleck M
Download am/vol87/AM87_753.pdf
American Mineralogist 87 (2002) 753-764
The new mineral baumstarkite and a structural reinvestigation of
aramayoite and miargyrite
_database_code_amcsd 0002821
7.813 8.268 8.880 100.32 104.07 90.18 P-1
atom       x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ag1   .11503 .42287 .14742       .0479  .0414  .0565  .0205  .0156  .0060
Ag2   .30433 .07450 .84722       .0500  .0400  .0530 -.0170  .0194  .0019
Ag3   .00914 .74334 .49858       .0278  .0387  .0249  .0014  .0054  .0059
Sb1   .64238 .41787 .16524 .937  .0182  .0163  .0195 .00172 .00499 .00364
Bi1   .64238 .41787 .16524 .063  .0182  .0163  .0195 .00172 .00499 .00364
Sb2   .16700 .91841 .16979 .963  .0174  .0165  .0193 .00243 .00389 .00267
Bi2   .16700 .91841 .16979 .037  .0174  .0165  .0193 .00243 .00389 .00267
Bi3   .49374 .24679 .49421 .903 .02031 .01733 .01897 .00126 .00456 .00252
Sb3   .49374 .24679 .49421 .097 .02031 .01733 .01897 .00126 .00456 .00252
S1    .85745 .20464 .20003       .0179  .0199  .0236  .0046  .0038  .0032
S2    .38019 .25024 .16822       .0185  .0224  .0187 -.0013  .0039  .0037
S3    .73044 .52180 .46193       .0199  .0190  .0189  .0011  .0035  .0007
S4   -.02532 .69719 .19690       .0208  .0224  .0241 -.0021  .0053  .0031
S5    .43666 .76178 .18244       .0187  .0220  .0183  .0062  .0041  .0032
S6    .23938 .02194 .46306       .0208  .0198  .0185  .0012  .0053  .0001
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Miargyrite
Download hom/miargyrite.pdf
Effenberger H, Paar W H, Topa D, Criddle A J, Fleck M
Download am/vol87/AM87_753.pdf
American Mineralogist 87 (2002) 753-764
The new mineral baumstarkite and a structural reinvestigation of
aramayoite and miargyrite
_database_code_amcsd 0002822
12.862 4.409 13.218 90 98.48 90 C2/c
atom      x       y      z U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Ag1       0  .02945    .25  .0250  .0439  .0344       0  .0005       0
Ag2       0      .5     .5  .0346  .0593  .0392   .0157  .0145  -.0106
Sb   .25550 -.03358 .62662  .0218  .0184  .0148 -.00022  .0464 -.00050
S1   .14337   .3510 .69954  .0180  .0203  .0170  -.0005  .0041  -.0004
S2   .11173   .1796 .41767  .0207  .0237  .0210   .0012  .0084   .0017
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Hydroxylellestadite
Download hom/hydroxylellestadite.pdf
Onac B P, Effenberger H, Ettinger K, Panzaru S P
Download am/vol91/AM91_1927.pdf
American Mineralogist 91 (2006) 1927-1931
Hydroxylellestadite from Cioclovina Cave (Romania): Microanalytical,
structural, and vibrational spectroscopy data
Locality: Cioclovina Cave, Sureanu Mountains, Romania
_database_code_amcsd 0004257
9.496 9.496 6.920 90 90 120 P6_3/m
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1     1/3    2/3 .00183      .02887  .0372  .0372  .0123  .0186      0      0
Ca2  .24567 .99330    .25      .02440  .0276  .0281  .0173  .0138      0      0
SiT  .39939 .37013    .25  .42 .01300  .0147  .0133  .0120  .0077      0      0
ST   .39939 .37013    .25  .36 .01300  .0147  .0133  .0120  .0077      0      0
PT   .39939 .37013    .25  .22 .01300  .0147  .0133  .0120  .0077      0      0
O1    .3276  .4848    .25       .0248  .0359  .0244  .0208  .0201      0      0
O2    .5879  .4659    .25       .0263  .0186  .0193  .0387  .0077      0      0
O3    .3460  .2592  .0696       .0328  .0521  .0305  .0244  .0271 -.0166 -.0070
OHZ       0      0  .1975  .41  .0347  .0170  .0170   .070  .0085      0      0
FZ        0      0  .1975 .045  .0347  .0170  .0170   .070  .0085      0      0
ClZ       0      0  .1975 .035  .0347  .0170  .0170   .070  .0085      0      0
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Ellestadite-(OH)
Download hom/ellestaditeoh.pdf
Onac B P, Effenberger H, Ettinger K, Panzaru S P
Download am/vol91/AM91_1927.pdf
American Mineralogist 91 (2006) 1927-1931
Hydroxylellestadite from Cioclovina Cave (Romania): Microanalytical,
structural, and vibrational spectroscopy data
Locality: Cioclovina Cave, Sureanu Mountains, Romania
_database_code_amcsd 0004258
9.496 9.496 6.920 90 90 120 P6_3/m
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1     1/3    2/3 .00183      .02887  .0372  .0372  .0123  .0186      0      0
Ca2  .24567 .99330    .25      .02440  .0276  .0281  .0173  .0138      0      0
SiT  .39939 .37013    .25  .42 .01300  .0147  .0133  .0120  .0077      0      0
ST   .39939 .37013    .25  .36 .01300  .0147  .0133  .0120  .0077      0      0
PT   .39939 .37013    .25  .22 .01300  .0147  .0133  .0120  .0077      0      0
O1    .3276  .4848    .25       .0248  .0359  .0244  .0208  .0201      0      0
O2    .5879  .4659    .25       .0263  .0186  .0193  .0387  .0077      0      0
O3    .3460  .2592  .0696       .0328  .0521  .0305  .0244  .0271 -.0166 -.0070
OHZ       0      0  .1975  .41  .0347  .0170  .0170   .070  .0085      0      0
FZ        0      0  .1975 .045  .0347  .0170  .0170   .070  .0085      0      0
ClZ       0      0  .1975 .035  .0347  .0170  .0170   .070  .0085      0      0
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Berlinite
Download hom/berlinite.pdf
Onac B P, Effenberger H S
Download am/vol92/AM92_1998.pdf
American Mineralogist 92 (2007) 1998-2001
Re-examination of berlinite (AlPO4) from the Cioclovina Cave, Romania
Locality: Cioclovina Cave, Romania
_database_code_amcsd 0004489
4.9458 4.9458 10.9526 90 90 120 *P3_121
0 0 1/3
atom      x     y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2)   U(1,3)  U(2,3)
Al   .46649     0    1/3 .01073 .01152 .00976 .01031 .00488 -.000215 -.00043
P    .46689     0    5/6 .01111 .01225 .00970 .01054 .00485 -.000155 -.00031
O1    .4157 .2911 .39763 .01740  .0228  .0166  .0160  .0122   -.0028 -.00438
O2    .4150 .2575 .88400 .01733  .0225  .0161  .0172  .0125   -.0041  -.0048
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Rapidcreekite
Download hom/rapidcreekite.pdf
Onac B P, Effenberger H S, Wynn J G, Povara I
 
American Mineralogist 98 (2013) 1302-1309
Rapidcreekite in the sulfuric acid weathering environment of Diana Cave, Romania
Locality: Diana Cave, Romania
_database_code_amcsd 0019905
15.524 19.218 6.161 90 90 90 Pcnb
atom       x       y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ca1  .334002 .289513 .20090 .01712 .01787 .01618 .01733 -.00035 -.00016 -.00086
Ca2  .327543 .053335 .18898 .01655 .01821 .01593 .01552  .00052  .00018  .00084
S     .16871 .419309 .02690 .01621 .01788 .01490 .01584 -.00009  .00004 -.00090
C     .19103  .17345  .4337  .0165  .0175  .0180  .0140  -.0001  -.0007   .0000
O1    .22452  .35836 .04875  .0250  .0278  .0202  .0268   .0069  -.0030   .0006
O2    .21343  .23291 .35720  .0204  .0235  .0166  .0212  -.0019   .0030   .0020
O3    .38966  .40374 .34196  .0239  .0254  .0229  .0235  -.0011   .0063  -.0039
O4    .37085  .17133 .07484  .0191  .0193  .0193  .0187  -.0009  -.0034   .0004
O5    .22870  .11704 .38274  .0243  .0299  .0191  .0239   .0048   .0093   .0012
O6    .28117  .48285 .48411  .0228  .0255  .0186  .0243   .0045  -.0050  -.0012
O7    .11778  .43255 .22415  .0242  .0277  .0232  .0217  -.0029   .0070  -.0031
OW1   .08933  .23878  .0107  .0274  .0269  .0318  .0235  -.0040   .0000   .0007
OW2   .04803  .32244  .4660  .0296  .0243  .0308  .0336   .0004  -.0049   .0061
OW3   .07520  .02078  .3958  .0252  .0247  .0274  .0236  -.0006  -.0004  -.0041
OW4   .43354  .09068  .4675  .0288  .0250  .0334  .0280  -.0018  -.0040   .0030
H1     .0414   .2390   .033   .045
H2     .1182   .2440   .116   .045
H3      .003   .3337   .485   .045
H4     .0623   .3598   .402   .045
H5     .0372   .0193   .427   .045
H6     .0906  -.0138   .338   .045
H7     .4914   .1012   .425   .045
H8      .437   .0917   .553   .045
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Mrazekite
Download hom/mrazekite.pdf
Effenberger H, Krause W, Belendorff K, Bernhardt H J, Medenbach O, Hybler J, Petricek V
Download cm/vol32/CM32_365.pdf
The Canadian Mineralogist 32 (1994) 365-372
Revision of the crystal structure of mrazekite, Bi2Cu3(OH)2O2(PO4)2.2H2O
_database_code_amcsd 0005364
9.065 6.340 21.239 90 101.57 90 P2_1/n
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1  .36464 .25135 .04570  .0185  .0160  .0155  .0003  .0034  .0002
Bi2  .38662 .19971 .20523  .0173  .0161  .0147  .0000  .0031  .0000
Cu1       0      0      0  .0171  .0173  .0248 -.0016  .0037 -.0001
Cu2       0     .5      0  .0174  .0167  .0248  .0023  .0039  .0007
Cu3   .3719  .7251  .1251  .0276  .0134  .0151  .0000  .0035  .0002
Cu4   .7461  .4532  .2469  .0171  .0188  .0247 -.0024  .0041  .0001
P1    .7237  .2688  .0281  .0178  .0164  .0166  .0007  .0042  .0004
P2    .0284  .2192  .2226  .0181  .0160  .0147 -.0001  .0042  .0001
O11    .631   .247  .0803   .020   .036   .028   .002   .007  .0000
O12    .809   .064  .0224   .026   .015   .037  -.002   .006  .0000
O13    .610   .315 -.0345   .030   .033   .014  -.006   .004  -.003
O14    .832   .460  .0417   .022   .022   .031   .000   .005   .000
O21    .115   .189  .1690   .012   .027   .017  -.002   .001   .000
O22   -.056   .013  .2299   .020   .020   .033   .000   .006  -.002
O23   -.081   .407  .2086   .022   .022   .039   .000   .009   .002
O24    .147   .267  .2847   .023   .032   .019   .001   .005  -.001
Oo1    .378   .025  .1200   .023   .018   .019   .004   .004   .003
Oo2    .372   .425  .1307   .022   .014   .020   .002   .005   .000
OH1    .652   .195  .2068   .024   .020   .019  -.001   .005   .000
OH2    .099   .254  .0436   .018   .018   .026   .002   .003   .002
Wat1   .065   .769  .1050   .034   .052   .026  -.008   .004  -.001
Wat2   .685   .735  .1403   .064   .065   .021  -.012  -.002   .000
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Orthowalpurgite
Download hom/orthowalpurgite.pdf
Krause W, Effenberger H, Brandstatter F
 
European Journal of Mineralogy 7 (1995) 1313-1324
Orthowalpurgite, (UO2)Bi4O4(AsO4)2.2H2O,
a new mineral from the Black Forest, Germany
Locality: Black Forest, Germany
_database_code_amcsd 0006607
5.492 13.324 20.685 90 90 90 Pbcm
atom     x      y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U    .6850 -.0150    1/4 .020  .0154  .0266  .0187 -.0019      0      0
Bi1  .6754 .10257 .03039 .012  .0067  .0120  .0162  .0000 -.0015 -.0001
Bi2  .2199 .30468 .07715 .012  .0091  .0123  .0141 -.0011  .0006  .0000
As   .2014  .0033  .1292 .014   .012   .016   .014  -.003   .001  .0004
Ou1   .804  -.147    1/4 .045
Ou2   .560   .121    1/4 .031
Oo1   .399   .434  .0352 .015
Oo2   .484    1/4      0 .010
Oo3   .005    1/4      0 .018
Oa1   .335   .111  .1009 .012
Oa2   .397  -.064  .3250 .021
Oa3   .103  -.071  .0672 .012
Oa4  -.053   .033  .1708 .018
Wat   .762   .246  .1459 .037
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Ferrilotharmeyerite
Download hom/ferrilotharmeyerite.pdf
Krause W, Belendorff K, Bernhardt H J, McCammon C A, Effenberger H, Mikenda W
 
European Journal of Mineralogy 10 (1998) 179-206
Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite,
tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite
Locality: Tsumeb mine, Namibia
_database_code_amcsd 0006708
9.010 6.246 7.391 90 115.52 90 C2/m
atom       x     y      z  occ Biso
CaMe1      0     0      0       .92
FeMe2    .25   .25     .5 .497  .73
ZnMe2    .25   .25     .5 .503  .73
AsX   .91466    .5 .20451       .60
OH1    .3439    .5  .4083       .92
O2     .3183     0  .3621      1.12
O3     .0339 .2798  .2453       .89
O4     .2429    .5  .0206      1.24
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Thometzekite
Download hom/thometzekite.pdf
Krause W, Belendorff K, Bernhardt H J, McCammon C A, Effenberger H, Mikenda W
 
European Journal of Mineralogy 10 (1998) 179-206
Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite,
tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite
Locality: Tsumeb mine, Namibia
_database_code_amcsd 0006709
9.077 6.300 7.661 90 116.99 90 C2/m
atom      x     y     z  occ Biso
PbMe1     0     0     0      2.38
CuMe2   .25   .25    .5      1.44
AsX   .9167    .5 .2097 .617 1.45
SX    .9167    .5 .2097 .383 1.45
OH1   .3426    .5 .4204      1.91
O2    .3083     0 .3267      2.31
O3    .0308 .2887 .2623      1.83
O4    .2084    .5 .0180      2.82
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Mounanaite
Download hom/mounanaite.pdf
Krause W, Belendorff K, Bernhardt H J, McCammon C A, Effenberger H, Mikenda W
 
European Journal of Mineralogy 10 (1998) 179-206
Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite,
tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite
Locality: Mounana, Gaboon
_database_code_amcsd 0006710
9.294 6.166 7.713 90 115.57 90 C2/m
atom      x     y      z Biso
PbMe1     0     0      0  1.82
FeMe2   .25   .25     .5  1.51
VX    .9228    .5  .2256  1.29
OH1   .3368    .5  .4183  1.43
O2    .3185     0  .3722  2.00
O3    .0406 .2729  .2663  1.40
O4    .2125    .5 -.0053  1.72
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Gartrellite
Download hom/gartrellite.pdf
Krause W, Belendorff K, Bernhardt H J, McCammon C A, Effenberger H, Mikenda W
 
European Journal of Mineralogy 10 (1998) 179-206
Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite,
tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite
Locality: Tsumeb mine, Namibia
_database_code_amcsd 0006711
5.431 5.642 7.573 67.62 69.57 70.31 P-1
atom      x     y     z Biso
PbMe1     0     0     0  .07
FeMe2     0    .5    .5 1.40
CuMe2    .5     0    .5 1.40
AsX   .4100 .4347 .7920 1.00
OH1    .146  .171 .4198  .62
O2     .284  .306 .6702  .62
O3a    .251  .685 .2815  .62
O3b    .686  .230 .2723  .62
O4     .261  .275 .0366  .62
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Helmutwinklerite
Download hom/helmutwinklerite.pdf
Krause W, Belendorff K, Bernhardt H J, McCammon C A, Effenberger H, Mikenda W
 
European Journal of Mineralogy 10 (1998) 179-206
Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite,
tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite
Locality: Tsumeb mine, Namibia
_database_code_amcsd 0006712
5.606 5.610 7.617 70.19 69.91 69.18 P-1
atom       x      y      z Biso
PbMe1      0      0      0 2.72
Zn1        0     .5     .5 1.82
Zn2       .5      0     .5 1.84
AsX   .42101 .42320 .77763 1.74
OH1    .1554  .1572  .4059 3.10
O2     .3131  .3093  .6509 1.89
O3a    .2495  .6831  .2581 2.56
O3b    .6842  .2471  .2610 2.42
O4     .2786  .2874  .0085 5.03
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Schneebergite
Download hom/schneebergite.pdf
Krause W, Bernhardt H J, Effenberger H, Witzke T
 
European Journal of Mineralogy 14 (2002) 115-126
Schneebergite and nickelschneebergite from Schneeberg, Saxony, Germany:
the first Bi-bearing members of the tsumcorite group
Sample: #358
Locality: Schneeberg, Saxony, Germany
_database_code_amcsd 0006924
9.005 6.211 7.440 90 115.19 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)
BiMe1      0     0      0 .653 .0137  .0160  .0111  .0156      0  .0081      0
CaMe1      0     0      0 .347 .0137  .0160  .0111  .0156      0  .0081      0
CoMe2    .25   .25     .5  .52 .0068  .0061  .0061  .0068 -.0001  .0013 -.0004
NiMe2    .25   .25     .5  .30 .0068  .0061  .0061  .0068 -.0001  .0013 -.0004
FeMe2    .25   .25     .5  .18 .0068  .0061  .0061  .0068 -.0001  .0013 -.0004
As    .91418    .5 .20607      .0075  .0059  .0066  .0095      0  .0030      0
OH1    .3485    .5  .4138   .5 .0119   .011   .015   .009      0   .004      0
Wat1   .3485    .5  .4138   .5 .0119   .011   .015   .009      0   .004      0
O2     .3186     0  .3599      .0117   .011   .011   .024      0   .017      0
O3     .0336 .2799  .2421      .0094   .009   .006   .010   .002   .000  -.002
O4     .2425    .5  .0198      .0172   .011   .027   .009      0   .000      0
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Nickelschneebergite
Download hom/nickelschneebergite.pdf
Krause W, Bernhardt H J, Effenberger H, Witzke T
 
European Journal of Mineralogy 14 (2002) 115-126
Schneebergite and nickelschneebergite from Schneeberg, Saxony, Germany:
the first Bi-bearing members of the tsumcorite group
Sample: #374
Locality: Schneeberg, Saxony, Germany
_database_code_amcsd 0006925
8.995 6.207 7.462 90 115.00 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)
BiMe1      0      0      0 .551 .0154  .0184  .0126  .0168      0  .0091      0
CaMe1      0      0      0 .449 .0154  .0184  .0126  .0168      0  .0091      0
NiMe2    .25    .25     .5   .5 .0086  .0089  .0078  .0084  .0002  .0031  .0000
CoMe2    .25    .25     .5  .31 .0086  .0089  .0078  .0084  .0002  .0031  .0000
FeMe2    .25    .25     .5   .2 .0086  .0089  .0078  .0084  .0002  .0031  .0000
As    .91509     .5 .20707      .0093  .0084  .0088  .0114      0  .0048      0
OH1    .3476     .5  .4141   .5  .017   .020   .017   .015      0   .008      0
Wat1   .3476     .5  .4141   .5  .017   .020   .017   .015      0   .008      0
O2     .3203      0  .3658       .009   .011   .006   .019      0   .014      0
O3     .0330  .2810  .2425       .012   .017   .009   .013   .004   .007   .000
O4     .2424     .5  .0204       .018   .022   .027   .004      0   .004      0
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Schlegelite
 
Krause W, Bernhardt N J, Effenberger H
 
European Journal of Mineralogy 18 (2006) 803-811
Schlegelite, Bi7O4(MoO4)2(AsO4)3, a new mineral from Schneeberg, Saxony,
Germany
Locality: Pucher Richtschacht, Schneeberg, Saxony, Germany
_database_code_amcsd 0007187
5.299 16.133 23.948 90 90 90 Pnca
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     .25      0 .82100     .0259  .0263  .0333  .0181      0      0  .0049
Bi2  .20136 .17526 .31301     .0238  .0231  .0257  .0227 -.0023  .0031 -.0020
Bi3  .30289 .16056 .56105     .0213  .0181  .0240  .0216 -.0021  .0011 -.0017
Bi4  .25882 .32375 .44420     .0214  .0228  .0215  .0199  .0002 -.0015 -.0017
Mo1     .25      0 .07488 .89 .0172  .0153  .0178  .0186      0      0  .0001
PMo1    .25      0 .07488 .08 .0172  .0153  .0178  .0186      0      0  .0001
VMo1    .25      0 .07488 .03 .0172  .0153  .0178  .0186      0      0  .0001
Mo2     .25      0 .67760 .89 .0190  .0216  .0173  .0181      0      0 -.0031
PMo2    .25      0 .67760 .08 .0190  .0216  .0173  .0181      0      0 -.0031
VMo2    .25      0 .67760 .03 .0190  .0216  .0173  .0181      0      0 -.0031
As3     .25      0 .42911     .0165  .0173  .0167  .0156      0      0 -.0040
As4   .2509 .16929 .17204     .0179  .0194  .0195  .0149  .0009  .0016  .0045
O11    .146 -.0785  .0312      .030   .031   .030   .030  -.003   .004  -.003
O12   -.025  .0481  .1072      .025   .028   .018   .028   .005   .010  -.004
O21    .029  .0383  .7251      .025   .024   .021   .030   .004  -.004   .005
O22    .400  .1008  .6553      .023   .023   .025   .019   .002  -.007  -.012
O31    .025 -.0473  .3899      .031   .040   .027   .026   .006  -.014  -.013
O32    .383 -.0743  .4695      .024   .026   .030   .016  -.002  -.003  .0112
O41    .420  .2337  .2139      .026   .028   .038   .013   .001   .004  -.012
O42    .452  .1013  .1438      .032   .040   .038   .017  -.002   .002   .020
O43    .047  .1261  .2166      .031   .046   .026   .021   .000   .010  -.011
O44    .102  .2249  .1231      .022   .025   .014   .026   .005  -.012   .000
O1     .495  .2481  .4980      .021   .019   .030   .014   .003   .002   .001
O2     .116  .2231  .3972      .022   .024   .024   .017  -.003   .009  -.007
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Skorpionite
 
Krause W, Effenberger H, Bernhardt H-J, Medenbach O
 
European Journal of Mineralogy 20 (2008) 271-280
Skorpionite, Ca3Zn2(PO4)2CO3(OH)2*H2O, a new mineral from Namibia: description
and crystal structure
Locality: near Rosh Pinah mine, Luderitz district, Karas region, Namibia, Africa
_database_code_amcsd 0007259
19.045 9.320 6.525 90 92.73 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)
Zn   .170688 .04391 .41120     .01552 .01380 .01906 .01365 -.00242 .00023 .00474
Ca1        0 .59791    .25     .01225 .01049 .01400 .01221       0 .00018      0
Ca2  .164189 .33537 .12171     .01213 .01232 .01235 .01180  .00026 .00120 .00159
P    .178044 .66662 .15062     .01057 .01002 .01247 .00924 -.00065 .00058 .00006
C          0  .2818    .25      .0136  .0134  .0137  .0138       0  .0031      0
O1p   .21612 .76680  .3030      .0160  .0148  .0212  .0118  -.0046 -.0005 -.0024
O2p   .22778 .55013  .0690      .0154  .0125  .0145  .0195   .0006  .0028 -.0010
O3p   .12142 .58406  .2629      .0148  .0111  .0188  .0146  -.0018  .0020  .0023
O4p   .14517 .74825 -.0352      .0150  .0175  .0159  .0115  -.0002 -.0019  .0018
O1c        0 .14635    .25      .0238  .0209  .0124  .0390       0  .0109      0
O2c   .02937 .35493  .1068      .0157  .0161  .0184  .0128  -.0023  .0025  .0017
Oh    .13476 .07351  .1247      .0131  .0122  .0152  .0119   .0013  .0011 -.0016
Ow1     .000   .850   .201 .25   .033   .063   .008   .028    .005  -.011  -.008
Ow2    .0110   .848   .216 .25   .030   .046   .027   .016    .001   .009   .001
Hh     .0928   .082   .134       .002
Hw1        0   .924    .25       .018
Hw2     .002   .851   .066  .5   .018
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Burbankite
Download hom/burbankite.pdf
Onac B P, Bernhardt H J, Effenberger H
 
European Journal of Mineralogy 21 (2009) 507-514
Authigenic burbankite in the Cioclovina Cave sediments (Romania)
Locality: Cioclovina Cave sediments, Romania
_database_code_amcsd 0007286
10.514 10.514 6.477 90 90 120 P6_3mc
atom      x       y     z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
NaA  .52343 -.52343 .3128 .82  .0222  .0190  .0190  .0273  .0085  .0002  -.0002
CaA  .52343 -.52343 .3128 .17  .0222  .0190  .0190  .0273  .0085  .0002  -.0002
SrB  .84125 -.84125     0 .57 .01472 .01338 .01338 .01632 .00589 .00071 -.00071
CaB  .84125 -.84125     0 .16 .01472 .01338 .01338 .01632 .00589 .00071 -.00071
BaB  .84125 -.84125     0 .11 .01472 .01338 .01338 .01632 .00589 .00071 -.00071
YB   .84125 -.84125     0 .03 .01472 .01338 .01338 .01632 .00589 .00071 -.00071
CeB  .84125 -.84125     0 .05 .01472 .01338 .01338 .01632 .00589 .00071 -.00071
LaB  .84125 -.84125     0 .02 .01472 .01338 .01338 .01632 .00589 .00071 -.00071
NdB  .84125 -.84125     0 .02 .01472 .01338 .01338 .01632 .00589 .00071 -.00071
PrB  .84125 -.84125     0 .01 .01472 .01338 .01338 .01632 .00589 .00071 -.00071
ThB  .84125 -.84125     0 .03 .01472 .01338 .01338 .01632 .00589 .00071 -.00071
C1    .7999  -.7999 .5372      .0151  .0144  .0144   .017  .0071  .0015  -.0015
C2        0       0 .8313      .0172   .017   .017   .017  .0085      0       0
C3      1/3     2/3  .490      .0177   .019   .019   .014  .0097      0       0
O1    .3749   .0815 .6308      .0240  .0224  .0179  .0312  .0096 -.0024   .0047
O2    .9304  -.9304 .3353      .0316  .0250  .0250   .053   .019  .0006  -.0006
O3   .40439 -.40439 .4864      .0242  .0296  .0296  .0214  .0208  .0006  -.0006
O4    .7756  -.7756 .3533      .0245  .0240  .0240  .0251  .0117 -.0019   .0019
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Teepleite
Download hom/teepleite.pdf
Effenberger H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=38&spage=82
Acta Crystallographica B38 (1982) 82-85
Verfeinerung der kristallstruktur von synthetischem teepleit
Locality: synthetic
_database_code_amcsd 0009750
7.260 7.260 4.847 90 90 90 *P4/nmm
.25 -.25 0
atom   x      y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Na     0      0    .5 1.26  .0060  .0060  .0133 -.0009 -.0004 -.0004
Cl   .25    .25 .7331 1.06  .0045  .0045  .0134      0      0      0
B    .75    .25     0  .77  .0038  .0038  .0076      0      0      0
O    .25 -.0881 .1857 1.05  .0065  .0038  .0104      0      0      0
H    .25   .006  .072   .5
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Butschliite
Download hom/butschliite.pdf
Effenberger H, Langhof H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=40&spage=1299
Acta Crystallographica C40 (1984) 1299-1300
On the aplanarity of the CO3 group in buetschliite, dipotassium calcium
dicarbonate, K2Ca(CO3)2: a further refinement of the atomic arrangement
Locality: synthetic
_database_code_amcsd 0019193
5.3822 5.3822 18.156 90 90 120 R-3m
atom      x       y      z Biso
K         0       0 .20927 1.61
Ca        0       0      0  .95
C         0       0 .58831  .99
O    .13776 -.13776 .58752 1.58
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Pb2AsO2OHCl2
 
Effenberger H, Miletich R, Pertlik F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=541
Acta Crystallographica C46 (1990) 541-543
Structure of dilead(II) hydrogenarsenate(III) dichloride
_database_code_amcsd 0010122
6.410 5.525 9.293 90 90.69 90 P2_1/m
atom      x     y      z  Uiso
Pb1  .28878   .25 .44178 .0195
Pb2  .52952   .25 .83910 .0235
As    .7734   .25  .3127 .0167
O1    .7415   .25  .1210  .036
O2    .5955 .0144  .3519  .019
Cl1   .2403   .25  .0987  .031
Cl2   .8862   .25  .6587  .026
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Cu2P2O7
 
Effenberger H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=691
Acta Crystallographica C46 (1990) 691-692
Structural refinement of low-temperature copper(II) pyrophosphate
_database_code_amcsd 0010124
6.895 8.113 9.164 90 109.62 90 C2/c
atom       x      y      z  Uiso
Cu   -.01814 .31288 .50706 .0103
P     .19754 .00750 .20566 .0075
O1         0  .0466    .25 .0260
O2     .3757  .0002  .3614 .0093
O3c    .2208  .1559  .1128 .0112
O3t    .1785 -.1508  .1179 .0162
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CdCu(OH)(AsO4)
 
Effenberger H
 
Zeitschrift fur Kristallographie 19 (2002) 85-85
CdCu(OH)(AsO4), the first Cd member of the adelite-descloizite structure type
Locality: synthetic
_database_code_amcsd 0019130
7.415 5.890 9.016 90 90 90 Pnma
atom      x     y      z   Uiso
Cd   .12235   1/4 .18220 .01477
Cu      1/2     0      0 .00856
As   .86997   3/4 .16222 .00731
O1    .8759 .5113  .2653  .0135
O2    .0355   3/4  .0358  .0232
O3    .6831   3/4  .0500  .0142
O4    .6358   1/4  .0714  .0081
H      .724   1/4   .044   .004
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CdCu(OH)3(NO3)
 
Effenberger H
 
Zeitschrift fur Kristallographie 19 (2002) 85-85
CdCu(OH)3(NO3), a new layer compound
Locality: synthetic
_database_code_amcsd 0019131
5.846 6.613 6.697 90 99.44 90 P2_1/m
atom      x     y      z occ  Uiso
Cd   .51128   .25 .91491     .0225
Cu        0     0      0     .0148
N     .2706   .25  .4077     .0304
O-ON1 .2598   .25  .2198     .0324
O-ON2 .4594   .25  .5202     .0474
O-ON3 .0908  .203  .4762  .5  .068
O-OH1 .8818   .25  .8486     .0181
O-OH2 .7246 .0137  .1291     .0197
H1     .929   .25   .752       .03
H2     .763  .044   .244       .08
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Zabuyelite
Download hom/zabuyelite.pdf
Effenberger H, Zemann J
Download zk/vol150/ZK150_133.pdf
Zeitschrift fur Kristallographie 150 (1979) 133-138
Verfeinerung der kristallstruktur des lithiumkarbonates, Li2CO3
_database_code_amcsd 0010813
8.3593 4.9725 6.1975 90 114.83 90 C2/c
atom     x      y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Li   .1965  .4484 .8344  .0053  .0139  .0111  .0007  .0034  .0011
C        0  .0657   .25  .0035  .0094  .0051      0  .0019      0
O1       0  .3213   .25  .0047  .0060  .0194      0  .0037      0
O2   .1459 -.0635 .3127  .0037  .0097  .0102  .0016  .0024  .0010
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Rouaite
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Effenberger H
Download zk/vol165/ZK165_127.pdf
Zeitschrift fur Kristallographie 165 (1983) 127-135
Verfeinerung der kristallstruktur des monoklinen
dikupfer(II)-trihydroxi-nitrates Cu2(NO3)(OH)3
Locality: synthetic
_database_code_amcsd 0010858
5.605 6.087 6.929 90 94.48 90 P2_1
atom       x     y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Cu2+1 -.0015     0  .9945  .87  .0055  .0059  .0056  .0006  .0012  .0013
Cu2+2  .5091 .2483 -.0024  .83  .0058  .0042  .0060 -.0008  .0008  .0002
N       .231  .259   .408 2.00   .019   .018   .005  -.002   .002  -.003
O4      .207  .251   .223 1.40   .016   .008   .005  -.002   .002   .001
O5      .387  .157   .496 4.01   .026   .049   .008   .008  -.002   .007
O6     -.097 -.112  -.492 3.78   .037   .033   .010  -.012   .008   .004
O1      .869  .252   .857 1.06   .008   .007   .007   .002   .002   .005
O2      .313  .013   .879  .83   .009   .005   .003  -.009   .000   .003
O3     -.313  .002  -.881  .89   .005   .009   .004   .008   .001  -.004
H1       .89   .29    .76    1
H2       .31   .03    .78    1
H3      -.28   .01   -.77    1
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Kotoite
Download hom/kotoite.pdf
Effenberger H, Pertlik F
Download zk/vol166/ZK166_129.pdf
Zeitschrift fur Kristallographie 166 (1984) 129-140
Verfeinerung der kristallstrukturen der isotypen verbindungen
M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit)
Locality: synthetic
_database_code_amcsd 0010864
5.398 8.416 4.497 90 90 90 Pnmn
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
MgM1     0     0     0  .50  .0033  .0019  .0072      0  .0009      0
MgM2     0 .3128    .5  .46  .0038  .0013  .0071      0  .0004      0
B    .2546     0 .5453  .42  .0005  .0019  .0081      0 -.0019      0
O1   .3222     0 .2502  .41  .0026  .0013  .0067      0 -.0007      0
O2   .2045 .1387 .7029  .48  .0041  .0012  .0080  .0001  .0005 -.0002
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Jimboite
Download hom/jimboite.pdf
Effenberger H, Pertlik F
Download zk/vol166/ZK166_129.pdf
Zeitschrift fur Kristallographie 166 (1984) 129-140
Verfeinerung der kristallstrukturen der isotypen verbindungen
M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit)
Locality: synthetic
_database_code_amcsd 0010865
5.658 8.740 4.646 90 90 90 Pnmn
atom     x      y     z Biso
MnM1     0      0     0  .58
MnM2     0 .31153    .5  .55
B    .2551      0 .5430  .63
O1   .3180      0 .2529  .65
O2   .2099  .1349 .6919  .72
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Co3(BO3)2
 
Effenberger H, Pertlik F
Download zk/vol166/ZK166_129.pdf
Zeitschrift fur Kristallographie 166 (1984) 129-140
Verfeinerung der kristallstrukturen der isotypen verbindungen
M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit)
_database_code_amcsd 0010866
5.462 8.436 4.529 90 90 90 Pnmn
atom     x      y     z Biso
CoM1     0      0     0  .71
CoM2     0 .31359    .5  .70
B    .2554      0 .5417  .70
O1   .3193      0 .2480  .79
O2   .2072  .1385 .6975  .83
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Ni3(BO3)2
 
Effenberger H, Pertlik F
Download zk/vol166/ZK166_129.pdf
Zeitschrift fur Kristallographie 166 (1984) 129-140
Verfeinerung der kristallstrukturen der isotypen verbindungen
M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit)
_database_code_amcsd 0010867
5.396 8.297 4.459 90 90 90 Pnmn
atom     x      y     z Biso
NiM1     0      0     0  .37
NiM2     0 .31572    .5  .38
B    .2551      0 .5439  .30
O1   .3243      0 .2489  .23
O2   .2011  .1399 .7012  .50
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Norsethite
Download hom/norsethite.pdf
Effenberger H, Zemann J
Download zk/vol171/ZK171_275.pdf
Zeitschrift fur Kristallographie 171 (1985) 275-280
Single crystal X-Ray investigation of norsethite, BaMg(CO3)2:
one more mineral with an aplanar carbonate group
Locality: synthetic
Sample: Model 1
_database_code_amcsd 0010924
5.022 5.022 16.770 90 90 120 R-3m
atom     x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba       0      0     0  .0113  .0113  .0158 .00565      0      0
Mg       0      0    .5  .0096  .0096   .013  .0048      0      0
C        0      0 .2391  .0108  .0108   .013  .0054      0      0
O    .1463 -.1463 .2420   .043   .043   .024   .039   .002  -.002
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Norsethite
Download hom/norsethite.pdf
Effenberger H, Zemann J
Download zk/vol171/ZK171_275.pdf
Zeitschrift fur Kristallographie 171 (1985) 275-280
Single crystal X-Ray investigation of norsethite, BaMg(CO3)2:
one more mineral with an aplanar carbonate group
Locality: synthetic
Sample: Model 2
_database_code_amcsd 0010925
5.022 5.022 16.770 90 90 120 R32
atom    x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba      0     0     0  .0113  .0113  .0158 .00565      0      0
Mg      0     0    .5  .0095  .0095   .013 .00475      0      0
C       0     0 .2392  .0110  .0110   .012  .0055      0      0
O    .164 -.129 .2416   .035   .042   .025   .033  -.010  -.014
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Norsethite
Download hom/norsethite.pdf
Effenberger H, Zemann J
Download zk/vol171/ZK171_275.pdf
Zeitschrift fur Kristallographie 171 (1985) 275-280
Single crystal X-Ray investigation of norsethite, BaMg(CO3)2:
one more mineral with an aplanar carbonate group
Locality: synthetic
Sample: Model 3
_database_code_amcsd 0010926
5.022 5.022 16.770 90 90 120 R-3m
atom    x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba      0     0     0      .0113  .0113  .0159 .00565      0      0
Mg      0     0    .5      .0095  .0095   .014 .00475      0      0
C       0     0 .2392      .0109  .0109   .013  .0054      0      0
O    .174 -.118 .2416  .5   .025   .029   .025   .022  -.005  -.008
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Crocoite
Download hom/crocoite.pdf
Effenberger H, Pertlik F
Download zk/vol176/ZK176_75.pdf
Zeitschrift fur Kristallographie 176 (1986) 75-83
Four monazite type structures: comparison of SrCrO4, SrSeO4,
PbCrO4 (crocoite), and PbSeO4
Locality: Dundas, Tasmania
_database_code_amcsd 0019487
7.127 7.438 6.799 90 102.43 90 P2_1/n
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb   .22130 .14545 .39692  .0184  .0163  .0152 -.0016  .0052 -.0011
Cr   .20107 .16364 .88184  .0093  .0092  .0088 -.0007  .0027 -.0014
O1    .2538  .0042  .0574   .031   .018   .019   .003   .006   .004
O2    .1245  .3425  .9890   .017   .017   .024   .001   .009  -.006
O3    .0295  .0999  .6858   .018   .020   .022  -.005  -.003  -.001
O4    .3859  .2141  .7819   .010   .029   .019  -.001   .006  -.002
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PbSeO4
 
Effenberger H, Pertlik F
Download zk/vol176/ZK176_75.pdf
Zeitschrift fur Kristallographie 176 (1986) 75-83
Four monazite type structures: comparison of SrCrO4, SrSeO4,
PbCrO4 (crocoite), and PbSeO4
Locality: synthetic
_database_code_amcsd 0019488
7.154 7.407 6.954 90 103.14 90 P2_1/n
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb   .21598 .14932 .40191  .0217  .0204  .0178 -.0009  .0041 -.0001
Se   .19595 .16362 .88195  .0171  .0162  .0122 -.0001  .0015 -.0003
O1    .2397  .0057  .0490   .048   .018   .019   .006   .006   .004
O2    .1196  .3396  .9858   .028   .021   .031   .005   .011  -.009
O3    .0252  .1102  .6851   .018   .027   .022  -.004  -.003  -.001
O4    .3806  .2083  .7881   .018   .034   .020  -.005   .003  -.007
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SrCrO4
 
Effenberger H, Pertlik F
Download zk/vol176/ZK176_75.pdf
Zeitschrift fur Kristallographie 176 (1986) 75-83
Four monazite type structures: comparison of SrCrO4, SrSeO4,
PbCrO4 (crocoite), and PbSeO4
Locality: synthetic
_database_code_amcsd 0019489
7.065 7.375 6.741 90 103.08 90 P2_1/n
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sr   .22813 .15896 .39806  .0120  .0123  .0131 -.0001  .0014 -.0015
Cr   .19769 .16487 .88691  .0109  .0117  .0126 -.0003  .0018  .0000
O1    .2584  .0055  .0562   .023   .014   .018   .002   .004   .000
O2    .1201  .3373  .0024   .015   .018   .026   .001   .006  -.003
O3    .0256  .1012  .6981   .015   .023   .021  -.006  -.004   .001
O4    .3776  .2179  .7881   .015   .025   .019  -.002   .003  -.004
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SrSeO4
 
Effenberger H, Pertlik F
Download zk/vol176/ZK176_75.pdf
Zeitschrift fur Kristallographie 176 (1986) 75-83
Four monazite type structures: comparison of SrCrO4, SrSeO4,
PbCrO4 (crocoite), and PbSeO4
Locality: synthetic
_database_code_amcsd 0019490
7.101 7.340 6.874 90 103.48 90 P2_1/n
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sr   .22082 .15773 .39876  .0126  .0105  .0133 -.0002  .0019 -.0010
Se   .19364 .16510 .88588  .0111  .0093  .0110 -.0003  .0019  .0000
O1    .2484  .0052  .0552   .027   .012   .016   .002   .003   .003
O2    .1154  .3375  .9996   .017   .014   .023   .001   .006  -.006
O3    .0192  .1094  .6935   .017   .021   .016  -.006  -.002    .00
O4    .3752  .2167  .7872   .014   .024   .017  -.003   .005  -.001
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Buckhornite
Download hom/buckhornite.pdf
Effenberger H, Culetto F J, Topa D, Paar W H
Download zk/vol215/ZK215_10.pdf
Zeitschrift fur Kristallographie 215 (2000) 10-16
The crystal structure of synthetic buckhornite, [Pb2BiS3][AuTe2]
Locality: synthetic
_database_code_amcsd 0011084
4.108 12.308 9.331 90 90 90 *Pmmn
-.25 -.25 0
atom    x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Au    .25    .25 -.0045     .0201  .0157  .0195  .0253      0      0      0
PbMe1 .25 .07838  .3166 2/3 .0314  .0286  .0277  .0377      0      0  .0017
BiMe1 .25 .07838  .3166 1/3 .0314  .0286  .0277  .0377      0      0  .0017
PbMe2 .75    .25  .6482 2/3 .0283  .0268  .0266  .0315      0      0      0
BiMe2 .75    .25  .6482 1/3 .0283  .0268  .0266  .0315      0      0      0
Te    .75  .1071 -.0075     .0217  .0180  .0221  .0250      0      0  .0002
S1    .75    .25  .3654      .022   .022   .017   .027      0      0      0
S2    .75  .9123  .3835      .020   .014   .019   .025      0      0   .002
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Finnemanite
Download hom/finnemanite.pdf
Effenberger H, Pertlik F
 
Anzeiger der Osterreichische Akademie der Wissenschaften 114 (1977) 209-211
Der strukturtyp von finnemanit, Pb5Cl(AsO3)3
Locality: Langban, Varmland, Sweden
_database_code_amcsd 0012024
10.322 10.322 7.054 90 90 120 P6_3/m
atom     x     y     z Biso
Pb1    1/3   2/3 .9898 1.78
Pb2  .2644 .0363   .25 1.09
Cl       0     0     0  .94
As   .4136 .4007   .25  .87
O1    .620  .468   .25  .87
O2    .368  .278  .063 1.11
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Adelite
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Effenberger H, Krause W, Bernhardt H J
 
Experimental Mineralogy, Petrology and Geochemistry Abstract Volume 9 (2002) 30-30
Structural investigations of adelite and cobaltaustinite, two members of the
adelite-descloizite group
Locality: Langban, Sweden
_database_code_amcsd 0012643
7.468 8.953 5.941 90 90 90 P2_12_12_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)
Ca   .63323 .66993 .47737       .00937 .01038 .00669 .01104 -.00049  .00086 -.00012
Mg   .24093 .50504 .24576       .00610  .0074  .0065  .0045   .0006   .0005  -.0007
As   .61594 .31858 .51671 .9312 .00533 .00567 .00523 .00509  .00064 -.00002 -.00013
P    .61594 .31858 .51671 .0688 .00533 .00567 .00523 .00509  .00064 -.00002 -.00013
O1   .43758 .43594  .4901        .0096  .0090  .0104  .0094   .0034  -.0002   .0005
O2   .78376 .43523  .5872        .0135  .0113  .0131  .0161  -.0032  -.0024  -.0001
O3   .35447 .72683  .2293        .0105  .0130  .0105  .0081  -.0018  -.0001   .0009
O4   .39884 .70196  .7603        .0112  .0146  .0103  .0087  -.0032   .0013  -.0023
O5   .10657 .57687  .5059        .0096  .0086  .0109  .0092  -.0004   .0014   .0003
H      .009   .529   .513         .032
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Piypite
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Effenberger H, Zemann J
Download mm/vol48/MM48_541.pdf
Mineralogical Magazine 48 (1984) 541-546
The crystal structure of caratiite
Locality: Mount Vesuvius, Naples, Italy
_database_code_amcsd 0014478
13.60 13.60 4.98 90 90 90 I4
atom        x      y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K       .1905  .1279 -.0379     1.92  .0019  .0030  .0222  .0002  .0005  .0015
Cu2+   .05627 .40789      0     1.12  .0015  .0015  .0116  .0002 -.0001  .0003
O           0     .5  .7572     1.11  .0017  .0016  .0093 -.0001      0      0
S       .4426  .2347 -.0179     1.14  .0019  .0012  .0118  .0002 -.0003  .0008
O1      .4230  .2103  .2705     1.99  .0044  .0019  .0133  .0005  .0005  .0003
O2      .3807  .1706 -.1884     2.12  .0018  .0036  .0246 -.0001  .0005 -.0040
O3      .5456  .2157 -.0778     2.03  .0018  .0018  .0354  .0001  .0004  .0008
O4      .4158  .3369 -.0531     2.52  .0041  .0015  .0346  .0011  .0004  .0025
Cu1+Me      0      0  .4482  .5 2.85  .0045  .0045  .0188      0      0      0
Cl          0      0 -.0513     3.15  .0026  .0026  .0579      0      0      0
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Rappoldite
 
Effenberger H, Krause W, Bernhardt H J, Martin M
Download mm/vol64/MM64_1109.pdf
Mineralogical Magazine 64 (2000) 1109-1126
On the symmetry of tsumcorite group minerals based on the new species
rappoldite and zincgartrellite
Locality: Rappold mine, near Schneeberg, Saxony, Germany
_database_code_amcsd 0014555
5.595 5.572 7.593 70.19 70.41 69.23 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)
PbMe1      0     0     0     .0340  .0426  .0300  .0257 -.0031 -.0084 -.0099
CoMe2a     0    .5    .5  .5 .0210  .0243  .0169  .0245  .0000 -.0089 -.0112
NiMe2a     0    .5    .5 .32 .0210  .0243  .0169  .0245  .0000 -.0089 -.0112
ZnMe2a     0    .5    .5 .18 .0210  .0243  .0169  .0245  .0000 -.0089 -.0112
CoMe2b    .5     0    .5  .5 .0201  .0210  .0163  .0250  .0004 -.0086 -.0103
NiMe2b    .5     0    .5 .32 .0201  .0210  .0163  .0250  .0004 -.0086 -.0103
ZnMe2b    .5     0    .5 .18 .0201  .0210  .0163  .0250  .0004 -.0086 -.0103
As     .4241 .4220 .7751     .0203  .0252  .0184   .023 -.0050 -.0087 -.0100
Wat1   .1575 .1556 .4045      .033   .022   .024   .065   .004  -.027  -.018
O2     .3119 .3126 .6446      .023   .024   .018   .035  -.004  -.014  -.012
O3a    .2472 .6843 .2611      .030   .027   .031   .040  -.015  -.019   .000
O3b    .6820 .2456 .2608      .027   .031   .016   .039  -.009   .003  -.021
O4     .2838 .2803 .0056      .054   .071   .079   .021  -.040  -.002  -.010
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Zincgartrellite
Download hom/zincgartrellite.pdf
Effenberger H, Krause W, Bernhardt H J, Martin M
Download mm/vol64/MM64_1109.pdf
Mineralogical Magazine 64 (2000) 1109-1126
On the symmetry of tsumcorite group minerals
based on the new species rappoldite and zincgartrellite
Locality: Tsumeb, Namibia
_database_code_amcsd 0014556
5.550 5.620 7.621 68.59 69.17 69.51 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        0     0     0     .0479   .061   .045   .033  -.014  -.020   .003
Zn2a       0    .5    .5  .6  .040   .033   .044   .029  -.009  -.009   .006
Fe3+2a     0    .5    .5  .4  .040   .033   .044   .029  -.009  -.009   .006
Zn2b      .5     0    .5  .6  .034   .047   .026   .026  -.016  -.016   .008
Cu2b      .5     0    .5  .4  .034   .047   .026   .026  -.016  -.016   .008
As     .4125 .4266 .7853      .032   .037   .034   .023  -.010  -.015   .005
O2      .306  .321  .648      .052
O3a     .255  .679  .258      .044
O3b     .691  .238  .251      .049
O4      .273  .289  .020      .037
OH1     .163  .166  .420  .2  .034
Wat1    .163  .166  .420  .8  .034
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Linarite
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Effenberger H
 
Mineralogy and Petrology 36 (1987) 3-12
Crystal structure and chemical formula of schmiederite, Pb2Cu2(OH)4(SeO3)(SeO4),
with a comparison to linarite PbCu(OH)2(SO4)
Locality: Leadhills, Scotland
_database_code_amcsd 0014611
9.701 5.650 4.690 90 102.65 90 P2_1/m
atom      x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb   .34201   .25 .32838  .0122  .0222  .0195      0 -.0019      0
Cu        0     0      0  .0136  .0083  .0106 -.0011  .0011  .0001
S     .3319   .75  .8845  .0094  .0133  .0110      0   .001      0
O1    .4754   .75  .0656   .011   .022   .019      0  -.002      0
O2    .3347   .75  .5693   .023   .045   .011      0   .002      0
O3    .2531 .5355  .9426   .014   .015   .028  -.003   .003   .002
OH4   .0342   .75  .2864   .014   .010   .014      0   .002      0
OH5   .0952   .25  .2667   .010   .011   .012      0   .001      0
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Schmiederite
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Effenberger H
 
Mineralogy and Petrology 36 (1987) 3-12
Crystal structure and chemical formula of schmiederite, Pb2Cu2(OH)4(SeO3)(SeO4),
with a comparison to linarite PbCu(OH)2(SO4)
Locality: synthetic
_database_code_amcsd 0014612
9.922 5.712 9.396 90 101.96 90 P2_1/m
atom      x      y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1   .3120    .25 .4111    0  .0171  .0211  .0243      0  .0011      0
Pb2   .3280    .25 .9668    0  .0161  .0330  .0529      0  .0010      0
Cu   -.0100 -.0007 .2438    0   .022   .013   .012  -.002   .002   .000
Se1   .3500    .75 .2093    0   .017   .018   .020      0   .007      0
Se2   .3347    .75 .6890    0   .011   .019   .016      0   .002      0
O11    .365    .75  .034 .042
O12    .246   .514  .210 .018
O21    .500    .75  .755 .031
O22    .316    .75  .506 .028
O23    .264   .989  .732 .025
OH1    .034    .75  .388 .007
OH2    .077    .25  .378 .011
OH3    .052    .75  .899 .009
OH4    .089    .25  .893 .012
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Nickenichite
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Auernhammer M, Effenberger H, Hentschel G, Reinecke T, Tillmanns E
 
Mineralogy and Petrology 48 (1993) 153-166
Nickenichite, a new arsenate from the Eifel, Germany
Locality: Nickenich, Nickenicher Sattel, Eifel, Germany
_database_code_amcsd 0014632
11.882 12.760 6.647 90 112.81 90 C2/c
atom       x      y     z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na         0  .9922   .25 .76 2.34   .018   .034   .030      0   .001      0
Ca         0     .5     0 .41 2.77   .041   .010   .033  -.003  -.010   .001
Cu         0  .5026   .25 .39 1.33   .014   .005   .030      0   .007      0
MgMe1      0  .2616   .25 .89 1.74   .028   .016   .022      0   .009      0
FeMe1      0  .2616   .25 .11 1.74   .028   .016   .022      0   .009      0
MgMe2  .2143  .1558 .1244 .78 1.01  .0162  .0091  .0147  .0005  .0078  .0013
FeMe2  .2143  .1558 .1244 .22 1.01  .0162  .0091  .0147  .0005  .0078  .0013
As1        0 .71180   .25      .99  .0166  .0073  .0128      0  .0045      0
As2   .26733 .38706 .3757     1.00  .0164  .0081  .0139 -.0003  .0063 -.0003
O11    .8915  .6232 .2381     1.56   .019   .013   .027  -.005   .008   .003
O12   -.0386  .7840 .0200     1.21   .011   .024   .011  -.003   .004   .006
O21    .1169  .3933 .3150     1.28   .015   .012   .025   .000   .011  -.005
O22    .2838  .3141 .1785     1.05   .019   .010   .012  -.001   .007  -.004
O23    .3325  .5042 .3887     1.42   .018   .014   .022  -.004   .009   .000
O24    .3397  .3294 .6189     1.15   .020   .012   .011   .001   .005   .003
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Brendelite
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Krause W, Bernhardt H J, McCammon C, Effenberger H
 
Mineralogy and Petrology 63 (1998) 263-277
Brendelite, (Bi,Pb)2Fe3+,2+O2(OH)(PO4), a new mineral from
Schneeberg, Germany: description and crystal structure
Locality: Schneeberg, Germany
_database_code_amcsd 0014642
12.278 3.815 6.899 90 111.14 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)
Bi   .76119    0 .22804  .5 .0255 .0231  .0216  .0326      0  .0111      0
Pb   .76119    0 .22804  .5 .0255 .0231  .0216  .0326      0  .0111      0
Fe        0    0      0     .0171 .0152  .0143  .0221      0  .0072      0
P     .5285    0  .3942  .5  .020  .017   .025   .014      0   .002      0
Oo    .1699    0  .0197      .024  .025   .018   .033      0   .017      0
OH    .5255    0  .1044  .5  .017  .026   .014   .009      0   .003      0
Op1   .3993    0  .3567      .023  .011   .032   .023      0   .003      0
Op2   .5638 .332  .3020  .5  .026  .028   .027   .028   .003   .016   .007
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Belloite
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Effenberger H
 
Monatshefte fur Chemie 115 (1984) 725-730
Verfeinerung der Kristallstruktur von Kupfer(II)-hydroxichlorid, Cu(OH)Cl
Locality: synthetic
_database_code_amcsd 0019167
5.555 6.671 6.127 90 114.88 90 P2_1/a
atom      x      y       z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
Cu   .25375 .11786 -.03193  .91 .00593 .00427 .01028 .00030 .00281 -.00102
O     .1508  .3525   .1189  .84  .0075  .0043  .0079 -.0010  .0032  -.0002
H       .21    .35     .26  2.3
Cl    .3218  .4090  -.3114 1.04  .0077  .0075  .0071  .0000  .0022   .0001
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Dolerophanite
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Effenberger H
 
Monatshefte fur Chemie 116 (1985) 927-931
Cu2O(SO4), dolerophanite: Refinement of the crystal structure with
a comparison of [OCu(II)4] tetrahedra in inorganic compounds
Locality: synthetic
_database_code_amcsd 0014667
9.370 6.319 7.639 90 122.34 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)
Cu1    .25   .25     0 .009  .0055  .0106  .0138 -.0009  .0025  .0023
Cu2  .0721     0 .2182 .010  .0050  .0175  .0088      0  .0002      0
S    .1024    .5 .3157 .008  .0060  .0101  .0099      0  .0016      0
O1   .2038    .5 .2232 .019   .022   .028   .025      0   .017      0
O2   .2947     0 .4593 .014   .008   .024   .009      0  -.003      0
O3   .1514     0 .0217 .008   .004   .009   .010      0   .001      0
O4   .4916 .1906 .2498 .012   .008   .010   .018   .001   .000   .002
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Benstonite
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Effenberger H
 
Neues Jahrbuch fur Mineralogie, Abhandlungen 136 (1979) 326-337
Kristallstruktur und chemische formel des benstonits, Ba6Ca6Mg(CO3)13
_database_code_amcsd 0014709
18.280 18.280 8.652 90 90 120 R-3
atom     x       y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba   .0533  0.1778 .3007           .0091  .0104  .0148  .0059  .0008  .0006
Ca   .3319  0.0860 .0238           .0050  .0052  .0067  .0030  .0012  .0010
Mg       0       0     0     .007
O1   .4820  0.4856 .1724     .019
O2   .3798  0.3543 .1180     .013
O3   .3525  0.4613 .1185     .015
O4   .2393  0.1124 .1817     .010
O5   .1039  0.0689 .1414     .027
O6   .1993  0.2036 .1101     .020
O7   .0789  0.0549 .4749  .5 .018
C1   .4058  0.4334 .1398     .009
C2   .1797  0.1288 .1376     .008
C3       0       0 .4785  .5 .017
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Paralstonite
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Effenberger H
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1980 (1980) 353-363
Die kristallstruktur des minerals paralstonite, BaCa(CO3)2
Locality: Cave-in-Rock District, Illinois, USA
_database_code_amcsd 0014766
8.692 8.692 6.148 90 90 120 P321
atom     x    y    z Biso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3) B(2,3)
Ba   .6870    0    0  .77  .0049  .0037  .0054  .0037  .00005  .0001
Ca   .3586    0   .5  .38  .0031  .0007  .0012  .0007 -.00005 -.0001
C1    1/3   2/3 .356  1.5
C2    1/3   2/3 .817  1.8
C3       0    0 .267   .3
O1    .191 .677 .355  2.0
O2    .173 .517 .822  2.3
O3    .150 .001 .255  1.2
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Hydrokenoralstonite
 
Effenberger H, Kluger F
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1984 (1984) 97-108
Ralstonite: a contribution to the knowledge of composition and crystal structure
Locality: Ivigtut, Greenland
_database_code_amcsd 0014784
9.91 9.91 9.91 90 90 90 *Fd3m
.125 .125 .125
atom     x    y    z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Al       0    0    0 .774  .49  .0013  .0013  .0013 -.0004 -.0004 -.0004
Mg       0    0    0 .226  .49  .0013  .0013  .0013 -.0004 -.0004 -.0004
Na      .5   .5   .5 .205 2.42  .0062  .0062  .0062 -.0022 -.0022 -.0022
F    .3138 .125 .125 .763 1.06  .0025  .0029  .0029      0      0  .0007
OH   .3138 .125 .125 .237 1.06  .0025  .0029  .0029      0      0  .0007
Ow    .375 .375 .375 .836 4.09  .0105  .0105  .0105      0      0      0
H      .33  .33  .33 .418 1.00
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Likasite
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Effenberger H
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 101-110
Likasite, Cu3(OH)5(NO3)*2(H2O): Revision of the chemical formula and
redetermination of the crystal structure
Locality: Likasi Mine, Zaire
_database_code_amcsd 0014798
5.830 6.775 21.711 90 90 90 Pcmn
atom     x    y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1  .8224  .25 .1055   .003   .011   .023      0  -.001      0
Cu2  .3284  .25 .1003   .003   .010   .024      0  -.003      0
Cu3      0    0     0   .016   .014   .021   .002  -.004  -.001
N     .080  .25  .242   .038   .012   .023      0  -.001      0
O1    .261  .25  .210   .012   .046   .036      0   .001      0
O2   -.103  .25  .214   .014   .048   .028      0  -.006      0
O3    .088  .25  .299   .030   .013   .019      0   .001      0
OH1   .158  .75  .002   .004   .012   .027      0  -.008      0
OH2   .076 .060  .086   .017   .009   .018  -.004  -.005   .002
OH3   .573 .055  .109   .006   .011   .026  -.004   .001   .002
Wat1  .082  .75  .170   .029   .019   .026      0   .000      0
Wat2  .628  .75  .030   .035   .018   .043      0  -.005      0
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Nordenskioldine
Download hom/nordenskioldine.pdf
Effenberger H, Zemann J
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 111-114
The detailed crystal structure of nordenskioeldine, CaSn(BO3)2
Locality: Stiepelman mine, SW Africa
_database_code_amcsd 0014799
4.858 4.858 16.0800 90 90 120 R-3
atom     x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca       0      0     0  .0067  .0067  .0061 .00335      0      0
Sn       0      0    .5  .0034  .0034  .0046  .0017      0      0
B        0      0 .2395  .0050  .0050  .0059  .0025      0      0
O    .2663 -.0313 .2417  .0059  .0073  .0091  .0044 -.0013 -.0032
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Ramsbeckite
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Effenberger H
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 38-48
Ramsbeckite, (Cu,Zn)15(OH)22(SO4)4*6(H2O):
Revision of the chemical formula based on a structure determination
Locality: Bastenberg mine, Ramsbeck, Sauerland, Germany
_database_code_amcsd 0014821
16.088 15.576 7.102 90 90.22 90 P2_1/a
atom      x      y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1       0      0      0 .014   .016   .012   .014   .009   .001   .005
Zn2   .6636  .0027  .0288 .019   .015   .023   .017  -.004   .001   .011
Cu3   .1720  .1055 -.0040 .012   .014   .008   .014  -.007  -.003   .008
Cu4   .5036  .1036  .0004 .017   .014   .018   .019  -.005   .000   .001
Cu5   .8393  .0933 -.0021 .011   .014   .001   .018   .006   .001   .007
Cu6   .3467  .2055 -.0079 .013   .017   .008   .015  -.011   .001  -.001
Cu7   .6763  .2012  .0059 .019   .016   .022   .018   .013  -.001  -.002
Zn8   .0070  .1965  .7662 .015   .015   .017   .013   .001  -.001   .001
S1    .2915  .0989  .5740 .016   .022   .017   .009  -.005  -.001   .000
S2    .0124  .1943  .2769 .017   .022   .020   .011  -.001  -.001  -.003
OH1   .1071  .0062 -.1202 .013
OH2   .2325  .0106  .1200 .009
OH3   .4456 -.0123 -.1580 .021
OH4   .3930  .1017  .1148 .019
OH5   .6119  .1155 -.1135 .015
OH6   .7340  .1088  .1505 .024
OH7   .9469  .0876 -.1665 .014
OH8   .1256  .1967 -.1637 .019
OH9   .2357  .1953  .1175 .013
OH10  .4521  .1974 -.1697 .017
OH11  .8025  .1993 -.1319 .014
Os11  .3742  .1253  .5150 .028
Os12  .2284  .1622  .5083 .025
Os13  .2708  .0115  .4983 .028
Os14  .2892  .0957  .7826 .016
Os21 -.0740  .1993  .2045 .031
Os22  .0542  .1201  .2060 .024
Os23  .0586  .2738  .2160 .039
Os24  .0087  .1889  .4824 .035
Wat1  .0992 -.0035  .4931 .020
Wat2  .6025  .1113  .5107 .051
Wat3  .3055  .3239  .4888 .026
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Hechtsbergite
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Krause W, Bernhardt H J, Blass G, Effenberger H, Graf H W
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1997 (1997) 271-287
Hechtsbergite, Bi2O(OH)(VO4), a new mineral from the Black Forest, Germany
Locality: Hechtsberg quarry, Hausach, Black Forest, Germany
_database_code_amcsd 0014896
6.971 7.535 10.881 90 107.00 90 P2_1/c
atom     x     y     z occ Biso
Bi1  .2513 .4139 .4769      1.7
Bi2  .3899 .8375 .6563       .8
V     .113  .570  .832 .97  1.0
As    .113  .570  .832 .03  1.0
O1    .494  .603  .586      1.0
OH2   .329  .237  .668      1.0
O3    .167  .619  .691      1.0
O4    .123  .720  .928      1.0
O5    .327  .419  .911      1.0
O6   -.129  .490  .768      1.0
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Schaferite
 
Krause W, Blass G, Effenberger H
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1999 (1999) 123-124
Schaferite, a new vanadium garnet from the Bellberg volcano, Eifel, Germany
Locality: Bellberg volcano, Eifel, Germany
_database_code_amcsd 0014899
12.422 12.422 12.422 90 90 90 Ia-3d
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na     .125      0    .25 .233 .0144  .0118  .0156  .0156      0      0  .0017
Ca     .125      0    .25 .767 .0144  .0118  .0156  .0156      0      0  .0017
Mg        0      0      0 .925 .0127  .0127  .0127  .0127 -.0007 -.0007 -.0007
Mn        0      0      0 .075 .0127  .0127  .0127  .0127 -.0007 -.0007 -.0007
V      .375      0    .25  .94 .0091  .0085  .0093  .0093      0      0      0
P      .375      0    .25  .06 .0091  .0085  .0093  .0093      0      0      0
O    .03837 .05130 .65515      .0118  .0120  .0127  .0106 -.0006 -.0003  .0004
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Cobaltlotharmeyerite
 
Krause W, Effenberger H, Bernhardt H J, Martin M
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1999 (1999) 505-517
Cobaltlotharmeyerite, Ca(Co,Fe,Ni)2(AsO4)2(OH,H2O)2, a new mineral from
Schneeberg, Germany
Locality: Schneeberg, Saxony, Germany
_database_code_amcsd 0014902
9.027 6.239 7.433 90 115.19 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)
CaMe1      0     0      0      .0173  .0246  .0143  .0150      0  .0104      0
CoMe2    .25   .25     .5 .485 .0173  .0111  .0095  .0109 -.0002  .0030 -.0003
FeMe2    .25   .25     .5 .335 .0111  .0111  .0095  .0109 -.0002  .0030 -.0003
NiMe2    .25   .25     .5  .18 .0111  .0111  .0095  .0109 -.0002  .0030 -.0003
As    .91839    .5 .21166      .0113  .0105  .0108  .0124      0  .0048      0
O2     .3213     0  .3651      .0158   .019   .014   .018      0   .012      0
O3     .0342 .2782  .2449      .0143   .015   .011   .016   .001   .005 -.0015
O4     .2385    .5  .0136      .0258   .015   .043   .011      0  -.001      0
Oh1    .3440    .5  .4097      .0164   .016   .019   .013      0   .006      0
H2      .331    .5   .332        .02
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Cobalttsumcorite
 
Krause W, Bernhardt H J, Effenberger H, Martin M
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2001 (2001) 588-576
Cobalttsumcorite and nickellotharmeyerite, two new minerals from
Schneeberg, Germany: description and crystal structure
Locality: Schneeberg, Germany
_database_code_amcsd 0014915
9.107 6.316 7.571 90 115.02 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       0     0      0      .0218 .0211  .0217  .0175      0  .0034      0
Co2     .25   .25     .5 .395 .0100 .0088  .0095  .0105 -.0002   .003  .0003
Fe2     .25   .25     .5 .365 .0100 .0088  .0095  .0105 -.0002   .003  .0003
Ni2     .25   .25     .5  .20 .0100 .0088  .0095  .0105 -.0002   .003  .0003
Zn2     .25   .25     .5  .02 .0100 .0088  .0095  .0105 -.0002   .003  .0003
Al2     .25   .25     .5  .02 .0100 .0088  .0095  .0105 -.0002   .003  .0003
As   .91849    .5 .21755      .0093 .0077  .0106  .0100      0  .0041      0
O2    .3096     0  .3549      .0130  .010   .018   .013      0   .007      0
O3    .0351 .2795  .2656      .0124  .009   .009   .017  -.002   .004   .002
O4    .2219    .5  .0139      .0237  .013   .041   .013      0   .000      0
OH1   .3425    .5  .4076  .35 .0136  .009   .016   .018      0   .007      0
Wat1  .3425    .5  .4076  .75 .0136  .009   .016   .018      0   .007      0
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Nickellotharmeyerite
 
Krause W, Bernhardt H J, Effenberger H, Martin M
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2001 (2001) 588-576
Cobalttsumcorite and nickellotharmeyerite, two new minerals from
Schneeberg, Germany: description and crystal structure
Locality: Schneeberg, Germany
_database_code_amcsd 0014916
9.040 6.229 7.397 90 115.32 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)
Ca1       0     0      0 .969 .0226  .0256  .0197  .0251      0  .0132      0
Bi1       0     0      0 .031 .0226  .0256  .0197  .0251      0  .0132      0
Ni2     .25   .25     .5  .55 .0152  .0138  .0131  .0178 -.0001  .0057 -.0003
Fe2     .25   .25     .5  .35 .0152  .0138  .0131  .0178 -.0001  .0057 -.0003
Co2     .25   .25     .5  .10 .0152  .0138  .0131  .0178 -.0001  .0057 -.0003
As2  .91699    .5 .20906      .0147  .0122  .0146  .0175      0  .0065      0
O2    .3194     0  .3662      .0188   .021   .014   .027      0   .016      0
O3    .0354 .2785  .2469      .0174   .015   .017   .018  .0012  .0051 -.0011
O4    .2421    .5  .0181      .0256   .016   .035   .020      0   .003      0
OH1   .3436    .5  .4073   .5 .0174   .014   .016   .024      0   .010      0
Wat1  .3436    .5  .4073   .5 .0174   .014   .016   .024      0   .010      0
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Mottramite
Download hom/mottramite.pdf
Krause W, Kolitsch U, Bernhardt H J, Effenberger H
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2003 (2003) 75-96
Duhamelite discredited
Locality: Shaba, Congo
_database_code_amcsd 0019267
7.486 9.620 5.881 90 90 90 Pnam
atom     x      y    z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
PbA  .1212 .18560  .25 .43 .0204  .0171  .0261  .0179  .0005      0      0
BiA  .1212 .18560  .25 .36 .0204  .0171  .0261  .0179  .0005      0      0
CaA  .1212 .18560  .25 .19 .0204  .0171  .0261  .0179  .0005      0      0
Cu       0     .5    0     .0149  .0120   .025  .0078  .0012  .0009 -.0006
V    .8580  .1713  .75     .0159   .011   .026   .011   .000      0      0
O1    .866  .2700 .506      .028   .041   .026   .017  -.017  -.007   .002
O2    .039   .070  .75      .044   .008    .07    .06   .008      0      0
O3    .667   .052  .75      .021   .031   .028   .004  -.001      0      0
OH    .652   .073  .25 .64  .086    .05    .16    .04   -.04      0      0
Oh    .652   .073  .25 .29  .086    .05    .16    .04   -.04      0      0
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Teineite
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Effenberger H
 
Tschermaks Mineralogische und Petrographische Mitteilungen 24 (1977) 287-298
Verfeinerung der kristallstruktur von synthetischem teineit CuTeO3*2(H2O)
Note: Synthetic sample.
_database_code_amcsd 0015667
6.634 9.597 7.428 90 90 90 P2_12_12_1
atom     x     y     z Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)  B(1,3)   B(2,3)
Cu   .5307 .1560 .2011  .81 .003238 .002226 .004758 -.001453 .000964 -.000912
Te   .7106 .3895 .4738  .76 .003863 .001954 .004033  .000275 .000254 -.000035
O1   .2403 .2125 .7415  1.3
O2   .9792 .3808 .5434   .7
O3   .2763 .0648 .1333   .9
Wat4 .0647 .2887 .0501  1.4
Wat5 .2873 .4477 .3299  1.3
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Finnemanite
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Effenberger H, Pertlik F
 
Tschermaks Mineralogische und Petrographische Mitteilungen 26 (1979) 95-107
Die kristallstruktur des finnemanits, Pb5Cl(AsO3)3, mit einem
vergleich zum strukturtyp des chlorapatits, Ca5Cl(PO4)3
Locality: Langban, Varmland, Sweden
_database_code_amcsd 0015673
10.322 10.322 7.054 90 90 120 P6_3/m
atom     x     y     z Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2) B(1,3) B(2,3)
Pb1    1/3   2/3 .9899      .007102 .007102 .003969 .003567      0      0
Pb2  .2646 .0363   .25      .002315 .003222 .007737 .001283      0      0
Cl       0     0     0      .004568 .004568 .002763 .002284      0      0
As   .4139 .4008   .25      .002440 .003160 .006582 .001283      0      0
O1    .617  .466   .25  1.4
O2    .367  .277  .061  1.7
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Tunisite
Download hom/tunisite.pdf
Effenberger H, Kluger F, Pertlik F, Zemann J
 
Tschermaks Mineralogische und Petrographische Mitteilungen 28 (1981) 65-77
Tunisit: kristallstruktur und revision der chemischen formel
_database_code_amcsd 0015681
11.1983 11.1983 6.5637 90 90 90 *P4/nmm
.25 -.25 0
atom      x       y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Na      .25     .25 .93704 2.55 .00328 .00328 .02514       0       0       0
Ca        0       0      0 2.56 .00579 .00579 .01065  .00464 -.00604 -.00604
Al   .40479 -.40479     .5  .52 .00097 .00097 .00342  .00000 -.00002 -.00002
C       .25  .51396 .15653  .67 .00126 .00135 .00398       0       0  .00022
O_c3 .46093  .64970 .75908  .90 .00266 .00116 .00449 -.00014 -.00084 -.00009
O_c4    .25  .46534 .98187 1.26 .00292 .00340 .00339       0       0 -.00142
O_h1    .25  .90696 .59918  .74 .00123 .00221 .00274       0       0 -.00041
O_h2 .43878  .43878 .60715  .77 .00118 .00118 .00645 -.00014  .00009  .00009
H1      .25    .934   .720  .77
H2     .391    .391   .577 2.21
Cl      .25     .25 .46863 2.46 .00201 .00201 .03084       0       0       0
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Machatschkiite
Download hom/machatschkiite.pdf
Effenberger H, Mereiter K, Pimminger M, Zemann J
 
Tschermaks Mineralogische und Petrographische Mitteilungen 30 (1982) 145-155
Machatschkiite: Crystal structure and revision of the chemical formula
Locality: "Grube Anton" Heubachtal, Schiltach, Black Forest, Germany
_database_code_amcsd 0015688
15.127 15.127 22.4710 90 90 120 R3c
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
Ca1  .8711 .3078 .6629 1.28 .00203 .00153 .00071 .00094  .00001  .00011
Ca2  .5166 .7141 .8303 1.15 .00221 .00135 .00058 .00110 -.00004 -.00002
As1  .5494 .9642  .876  .78 .00106 .00104 .00048 .00061  .00001 -.00011
As2    1/3   2/3 .7053  .91
PX     1/3   2/3 .9128  .60
O11  .5911 .8790 .8732  1.4
O12  .5231 .9885 .9443  1.2
OH13 .6580 .0725 .8512  1.4
O14  .4575 .9351 .8264  1.4
O21    1/3   2/3 .6320  2.6
O22  .4537 .7079 .7307  1.0
O31    1/3   2/3 .8431  .90
O32  .4265 .6614 .9308  1.4
Wat1 .9315 .4898 .6548  1.5
Wat2 .8963 .3733 .7649  2.5
Wat3 .9676 .3690 .5700  1.4
Wat4 .7173 .2146 .7219  1.8
Wat5 .8683 .2916 .8892  1.9
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Mammothite
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Effenberger H
 
Tschermaks Mineralogische und Petrographische Mitteilungen 34 (1985) 279-288
The crystal structure of mammothite, Pb6Cu4AlSbO2(OH)16Cl4(SO4)2
Locality: Mammoth vein, Tiger, Arizona, USA
_database_code_amcsd 0015702
18.93 7.33 11.35 90 112.44 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)
Pb1  .21037       0 .17947 .0179  .0186  .0232  .0159      0  .0051      0
Pb2  .42277  .25855 .20296 .0189  .0226  .0173  .0216 -.0022  .0064 -.0004
Cu1     .25     .25     .5 .0155  .0190  .0142  .0154 -.0019  .0027 -.0001
Cu2   .1042       0  .3685 .0151  .0167  .0168  .0178      0  .0078      0
Al        0       0     .5  .009  .0010   .014   .004      0   .002      0
Sb        0       0      0 .0143  .0149  .0174  .0129      0  .0029      0
O     .0021       0 -.1695  .015   .023   .013   .018      0   .013      0
OH1   .2386       0 -.4393  .019   .018   .013   .030      0   .006      0
OH2   .0872       0 -.3442  .017   .008   .017   .025      0  -.001      0
OH3   .0831   .1854  .0426  .019   .020   .024   .018  -.001   .005   .003
OH4   .0409   .1717  .4173  .016   .022   .013   .021   .006   .008   .008
OH5   .1695   .1833  .3398  .014   .020   .014   .013  -.004   .005   .002
Cl1   .3679       0  .3963  .030   .035   .030   .025      0  -.002      0
Cl2   .4491       0 -.1995  .023   .029   .019   .028      0   .008      0
S1    .2497       0 -.0953  .015   .013   .021   .014      0   .003      0
OS1   .1776       0 -.0709  .020   .005   .039   .021      0   .005      0
OS2   .3103       0  .0298  .036   .015   .064   .029      0   .000      0
OS3   .2482   .1596 -.1686  .034   .047   .028   .030  -.010   .006   .006
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Total number of retrieved datasets: 74
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