American Mineralogist Crystal Structure Database

44 matching records for this search.

Medenbachite
Download hom/medenbachite.pdf
Krause W, Bernhardt H J, Gebert W, Graetsch H, Belendorff K, Petitjean K
Download am/vol81/AM81_505.pdf
American Mineralogist 81 (1996) 505-512
Medenbachite, Bi2Fe(Cu,Fe)(O,OH)2(OH)2(AsO4)2, a new mineral species: Its
description and crystal structure
Sample: 8.0.376, single Bi atom model
_database_code_amcsd 0001790
4.581 6.178 8.969 94.29 99.93 94.85 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)
Bi   .2077 .3114 .3917       .0815  .0287  .0275  .0213 -.0152  .0023
Fe1      0     0     0       .0197  .0205  .0297  .0009  .0019  .0095
Cu2      0    .5     0  .88  .0202  .0179  .0262  .0008  .0012  .0102
Fe2      0    .5     0  .12  .0202  .0179  .0262  .0008  .0012  .0102
As   .5411 .7998 .2178       .0205  .0209  .0254  .0006  .0006  .0096
O1    .314  .565  .198       .0217   .020   .031  -.004   .002   .012
O2    .145  .742  .899        .009   .028   .034  -.005  -.003   .013
O3    .338  .012  .182        .025   .020   .037   .002  -.008   .004
O4    .245  .224  .916        .019   .021   .031   .002   .010   .004
O5    .277  .617  .541        .018   .032   .045  -.001  -.002  -.008
O6    .246  .139  .611        .033   .039   .025   .001  -.006   .009
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Medenbachite
Download hom/medenbachite.pdf
Krause W, Bernhardt H J, Gebert W, Graetsch H, Belendorff K, Petitjean K
Download am/vol81/AM81_505.pdf
American Mineralogist 81 (1996) 505-512
Medenbachite, Bi2Fe(Cu,Fe)(O,OH)2(OH)2(AsO4)2, a new mineral species: Its
description and crystal structure
Sample: 8.0.376, split Bi atom model
_database_code_amcsd 0001791
4.581 6.178 8.969 94.29 99.93 94.85 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  .1589 .2996 .3953   .5  .0221  .0249  .0257  .0028 -.0060  .0044
Bi2  .2541 .3223 .3883   .5  .0190  .0208  .0274  .0006 -.0054  .0063
Fe1      0     0     0       .0197  .0205  .0297  .0009  .0019  .0095
Cu2      0    .5     0  .88  .0202  .0179  .0262  .0008  .0012  .0102
Fe2      0    .5     0  .12  .0202  .0179  .0262  .0008  .0012  .0102
As   .5411 .7998 .2178       .0205  .0209  .0254  .0006  .0006  .0096
O1    .314  .565  .198       .0217   .020   .031  -.004   .002   .012
O2    .145  .742  .899        .009   .028   .034  -.005  -.003   .013
O3    .338  .012  .182        .025   .020   .037   .002  -.008   .004
O4    .245  .224  .916        .019   .021   .031   .002   .010   .004
O5    .277  .617  .541        .018   .032   .045  -.001  -.002  -.008
O6    .246  .139  .611        .033   .039   .025   .001  -.006   .009
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Ertl A, Bernhardt H J, Rossman G R, Rakovan J F
Download am/vol89/AM89_629.pdf
American Mineralogist 89 (2004) 629-632
Mn-rich fluorapatite from Autria: Crystal structure, chemical analysis, and
spectroscopic investigations
_database_code_amcsd 0003527
9.3429 9.3429 6.8110 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 -.00256 .72 .0131  .0137  .0137  .0118 .00683      0      0
Mn1     1/3    2/3 -.00256 .28 .0131  .0137  .0137  .0118 .00683      0      0
Ca2  .75861 .75194     .25 .96 .0124  .0139  .0124  .0115  .0069      0      0
Mn2  .75861 .75194     .25 .04 .0124  .0139  .0124  .0115  .0069      0      0
P    .60081 .97137     .25     .0095  .0091  .0079  .0117  .0043      0      0
O1    .6690 .15855     .25     .0159  .0202  .0086  .0190  .0074      0      0
O2    .4111  .8767     .25     .0288  .0096  .0138   .062  .0048      0      0
O3    .6591 .91763   .0701     .0274  .0537  .0246  .0156  .0284  .0142  .0066
F         0      0     .25     .0305  .0176  .0176   .056  .0088      0      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Apatite-(CaF)
Download hom/apatitecaf.pdf
Hughes J M, Ertl A, Bernhardt H J, Rossman G R, Rakovan J F
Download am/vol89/AM89_629.pdf
American Mineralogist 89 (2004) 629-632
Mn-rich fluorapatite from Autria: Crystal structure, chemical analysis, and
spectroscopic investigations
_database_code_amcsd 0003528
9.3429 9.3429 6.8110 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 -.00256 .72 .0131  .0137  .0137  .0118 .00683      0      0
Mn1     1/3    2/3 -.00256 .28 .0131  .0137  .0137  .0118 .00683      0      0
Ca2  .75861 .75194     .25 .96 .0124  .0139  .0124  .0115  .0069      0      0
Mn2  .75861 .75194     .25 .04 .0124  .0139  .0124  .0115  .0069      0      0
P    .60081 .97137     .25     .0095  .0091  .0079  .0117  .0043      0      0
O1    .6690 .15855     .25     .0159  .0202  .0086  .0190  .0074      0      0
O2    .4111  .8767     .25     .0288  .0096  .0138   .062  .0048      0      0
O3    .6591 .91763   .0701     .0274  .0537  .0246  .0156  .0284  .0142  .0066
F         0      0     .25     .0305  .0176  .0176   .056  .0088      0      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zoltaiite
 
Bartholomew P R, Mancini F, Cahill C L, Harlow G E, Bernhardt H J
Download am/vol90/AM90_1655.pdf
American Mineralogist 90 (2005) 1655-1660
Zoltaiite, a new barium-vanadium nesosubsilicate mineral from British Columbia:
Description and crystal structure
Sample: Wigwam Pb-Zn deposit, southeast of Revelstoke, British Columbia, Canada
_database_code_amcsd 0003940
7.601 7.601 9.219 90 90 120 P-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        0     0    .5      .0093  .0098  .0098  .0084  .0049      0      0
V3+1  .2070 .9557 .1377 .915 .0065  .0066  .0055  .0068  .0026  .0005  .0003
Fe3+1 .2070 .9557 .1377  .06 .0065  .0066  .0055  .0068  .0026  .0005  .0003
Fe2+1 .2070 .9557 .1377  .02 .0065  .0066  .0055  .0068  .0026  .0005  .0003
Mg1   .2070 .9557 .1377 .005 .0065  .0066  .0055  .0068  .0026  .0005  .0003
V3+2  .0869 .4589 .6355 .928 .0072  .0079  .0064  .0072  .0034  .0001  .0002
Cr2   .0869 .4589 .6355 .056 .0072  .0079  .0064  .0072  .0034  .0001  .0002
Al2   .0869 .4589 .6355 .003 .0072  .0079  .0064  .0072  .0034  .0001  .0002
V4+3    1/3   2/3 .3578 .345 .0082  .0081  .0081  .0085  .0040      0      0
Ti4+3   1/3   2/3 .3578 .655 .0082  .0081  .0081  .0085  .0040      0      0
Si      1/3   2/3 .9409      .0067  .0079  .0079  .0042  .0039      0      0
O1    .1777 .7455 .9908      .0073  .0074  .0071  .0087  .0045  .0008 -.0010
O2    .2957 .4474 .5043      .0092  .0097  .0073  .0084  .0025  .0002  .0006
O3      2/3   1/3 .2403      .0077  .0087  .0087  .0056  .0043      0      0
O4    .0385 .2255 .7511      .0076  .0087  .0095  .0063  .0058 -.0014 -.0008
O5    .0952 .4839 .2593      .0080  .0085  .0083  .0074  .0042 -.0006 -.0037
O6        0     0     0      .0066  .0047  .0047  .0105  .0023      0      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Olenite
Download hom/olenite.pdf
Ertl A, Pertlik F, Dyar M D, Prowatke S, Hughes J M, Ludwig T, Bernhardt H J
Download cm/vol42/CM42_1057.pdf
The Canadian Mineralogist 42 (2004) 1057-1063
Fe-rich olenite with tetrahedrally coordinated Fe3+ from Eibenstein, Austria:
Structural, chemical, and Mossbauer data
Locality: Eibenstein, Austria
_database_code_amcsd 0005974
15.938 15.938 7.136 90 90 120 R3m
atom       x      y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
NaX        0      0 .7798  .52        .0276  .0276  .0248  .0138       0      0
CaX        0      0 .7798  .01        .0276  .0276  .0248  .0138       0      0
AlY   .72829 .45658 .7055  .54        .0085  .0108  .0172  .0054   .0016  .0032
FeY2+ .72829 .45658 .7055 .276        .0085  .0108  .0172  .0054   .0016  .0032
MnY2+ .72829 .45658 .7055  .14        .0085  .0108  .0172  .0054   .0016  .0032
LiY   .72829 .45658 .7055 .016        .0085  .0108  .0172  .0054   .0016  .0032
TiY4+ .72829 .45658 .7055  .01        .0085  .0108  .0172  .0054   .0016  .0032
AlZ   .70225 .73887 .3913 .978        .0082  .0089  .0084  .0043   .0000  .0007
MgZ   .70225 .73887 .3913 .022        .0082  .0089  .0084  .0043   .0000  .0007
SiT   .80812 .81014     0 .955        .0078  .0075  .0089  .0039  -.0002 -.0005
AlT   .80812 .81014     0 .028        .0078  .0075  .0089  .0039  -.0002 -.0005
FeT3+ .80812 .81014     0 .017        .0078  .0075  .0089  .0039  -.0002 -.0005
B     .88999 .77998 .5474             .0094  .0093  .0108 .00465  .00025  .0005
O          0      0 .2269  .86        .0429  .0429  .0130 .02145       0      0
F          0      0 .2269  .14        .0429  .0429  .0130 .02145       0      0
O1    .93851 .87703 .5124             .0292  .0084  .0156  .0042  .00005  .0001
O2    .90588 .81175 .9301             .0102  .0175  .0138 .00875 -.00075 -.0015
O3    .79936 .59872 .8258             .0143  .0295  .0099 .01475   .0002  .0004
O4    .42739 .85479 .5743             .0108  .0184  .0134  .0092  -.0003 -.0006
O5    .80330 .81389 .2260             .0120  .0134  .0088  .0062   .0001 -.0004
O6    .71398 .71363 .9226             .0091  .0092  .0102  .0030  -.0001 -.0013
O7    .79027 .72932 .5615             .0086  .0136  .0126  .0060   .0011  .0032
H       .793   .585  .961  .32 .0306
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Greenwoodite
 
Bartholomew P R, Mancini F, Harlow G E, Deifel N, Cahill C, Bernhardt H J
 
The Canadian Mineralogist 50 (2012) 1233-1242
Greenwoodite, a new nesosilicate from British Columbia with a Ba-VOH
coupled substitution and tetrahedral Fe: description and structure
Locality: Wigwam deposit of Southeastern British Columbia, Canada
_database_code_amcsd 0019709
5.750 5.750 14.459 90 90 120 P-3m1
atom        x      y      z  occ  Uiso
Ba        1/3    2/3 .06805 .600 .0148
V         1/3    2/3 .06805 .400 .0148
OH        1/3    2/3 .06805 .400 .0148
V1        2/3    1/3 .17733      .0051
V2     .18382 .36765 .32518      .0055
V3          0      0     .5      .0054
V4         .5      0      0 .270 .0289
Fe3+T     1/3    2/3 .55041  .54 .0065
Fe2+T     1/3    2/3 .55041  .30 .0065
ZnT       1/3    2/3 .55041  .11 .0065
AlT       1/3    2/3 .55041  .03 .0065
MgT       1/3    2/3 .55041  .02 .0065
SiT1        0      0 .13003  .86 .0088
Fe3+T1      0      0 .13003  .14 .0088
O1        1/3    2/3  .4172      .0074
O2          0      0  .2499      .0064
O3      .3031  .1515 .40902      .0073
O4          0     .5 .25157      .0078
O5      .3202  .1601 .09610      .0172
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ishiharaite
 
Marquez-Zavalia M F, Galliski M A, Drabek M, Vymazalova A, Watanabe Y, Murakami H, Bernhardt H J
 
The Canadian Mineralogist 52 (2015) 969-980
Ishiharaite, (Cu,Ga,Fe,In,Zn)S, a new mineral from the Capillitas mine, Northwestern Argentina
Locality: Capillitas mine, Argentina
_database_code_amcsd 0020262
5.368 5.368 5.368 90 90 90 F-43m
atom   x   y   z occ
Cu     0   0   0 .55
Ga     0   0   0 .19
Fe     0   0   0 .13
In     0   0   0 .08
Zn     0   0   0 .08
S    .25 .25 .25
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Olenite
Download hom/olenite.pdf
Schreyer W, Hughes J M, Bernhardt H J, Kalt A, Prowatke S, Ertl A
 
European Journal of Mineralogy 14 (2002) 935-942
Reexamination of olenite from the type locality: detection of boron
in tetrahedral coordination
Note: z-coordinate for AlY and y-coordinate for H were altered by Hughes, Aug 2003
Locality: Olenii Range, Kola Peninsula, Russia
_database_code_amcsd 0006949
15.792 15.792 7.0878 90 90 120 R3m
atom      x      y      z  occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
NaX       0      0    .25 .541 1.81  .0240  .0240   .021   .012      0       0
CaX       0      0    .25 .023 1.81  .0240  .0240   .021   .012      0       0
AlY  .27260 .54520  .3260 .691  .67  .0067  .0086  .0109  .0043  .0013   .0026
LiY  .27260 .54520  .3260 .210  .67  .0067  .0086  .0109  .0043  .0013   .0026
MnY  .27260 .54520  .3260 .029  .67  .0067  .0086  .0109  .0043  .0013   .0026
FeY  .27260 .54520  .3260 .014  .67  .0067  .0086  .0109  .0043  .0013   .0026
AlZ  .29652 .25998 .63031      .612  .0073  .0090  .0069 .00407  .0007  -.0002
SiT  .19171 .18969 .02370 .909 .402  .0051 .00493  .0050 .00237 -.0001  -.0006
BT   .19171 .18969 .02370 .067 .402  .0051 .00493  .0050 .00237 -.0001  -.0006
AlT  .19171 .18969 .02370 .024 .402  .0051 .00493  .0050 .00237 -.0001  -.0006
B    .10907 .21814  .4752       .66  .0091  .0104  .0061  .0052 -.0001  -.0002
OH1       0      0  .7940 .832 1.55  .0232  .0232   .012  .0116      0       0
F1        0      0  .7940 .161 1.55  .0232  .0232   .012  .0116      0       0
O1        0      0  .7940 .006 1.55  .0232  .0232   .012  .0116      0       0
Cl1       0      0  .7940 .001 1.55  .0232  .0232   .012  .0116      0       0
O2   .06031 .12062  .5141      1.13  .0178  .0081  .0138 .00405  .0002   .0004
O3    .2605 .13025  .5298      1.08  .0244  .0130  .0075  .0122 -.0007 -.00035
O4   .09467 .18934  .0966       .95  .0106  .0170  .0107  .0085 -.0007  -.0014
O5    .1874  .0937  .1186      1.00  .0183  .0109  .0114 .00915  .0006   .0003
O6   .19402 .18334  .7960       .77  .0100  .0099  .0081  .0041  .0006   .0000
O7   .28704 .28646  .0985       .71  .0089  .0084  .0077  .0029  .0003  -.0012
O8   .20938 .27003  .4592       .76  .0076  .0111  .0102  .0046  .0003   .0023
H3     .205   .410   .085      -.24
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pertsevite-(F)
 
Schreyer W, Armbruster T, Bernhardt H J, Medenbach O
 
European Journal of Mineralogy 15 (2003) 1007-1018
Pertsevite, a new silication magnesioborate mineral with an end-member
composition Mg2BO3F, in kotoite marble from east of Verkhoyansk, Sakha-Yakutia, Russia
Locality: east of Verkhoyansk, Sakha-Yakutia, Russia
_database_code_amcsd 0007020
20.490 4.571 11.890 90 90 90 Pna2_1
atom      x     y      z occ Biso
Mg1   .3780 .5195  .2506      .75
Mg2   .6179 .9879  .2455      .75
Mg3   .2464  .532  .1137      .75
Mg4   .2479  .532  .3903      .75
Mg5   .3784  .517 -.0205      .75
Mg6   .3768  .519  .5256      .75
Mg7   .4850  .995  .1234      .75
Mg8   .5117  .978 -.1227      .75
B1    .3435  .044   .418 .91  .36
Si1    .330  .117   .372 .09  .36
B2     .523  .530   .220 .60  .36
B2A    .522   .58   .034 .15  .36
Si2   .5346  .576   .263 .25  .36
B3    .1848  .067   .243 .73  .36
Si3   .2103  .108   .258 .27  .36
B4    .3450  .079   .093      .36
O1    .3339  .766  .1148      .96
O2    .3375  .769   .390      .96
O3    .2033  .769   .256      .96
O4    .3286  .713 -.1505      .96
O5    .1705  .238  .1471      .96
O6    .4619  .750 -.0068 .48  .96
OH6   .4619  .750 -.0068 .16  .96
F6    .4619  .750 -.0068 .36  .96
O7    .5368  .249  .0082 .48  .96
OH7   .5368  .249  .0082 .16  .96
F7    .5368  .249  .0082 .36  .96
O8    .5308  .244   .245 .48  .96
OH8   .5308  .244   .245 .16  .96
F8    .5308  .244   .245 .36  .96
O9    .4013  .213  .1200      .96
O10   .3992  .219  .3856      .96
O11   .1992  .719  -.013      .96
O12   .3018  .211  .0189      .96
O13   .4663  .702   .250 .48  .96
OH13  .4663  .702   .250 .16  .96
F13   .4663  .702   .250 .36  .96
O14   .4239  .243 -.1228 .48  .96
OH14  .4239  .243 -.1228 .16  .96
F14   .4239  .243 -.1228 .36  .96
O15   .5675  .705  .1505      .96
O16   .2884  .317   .250 .48  .96
OH16  .2884  .317   .250 .16  .96
F16   .2884  .317   .250 .36  .96
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Alumino-magnesiohulsite
 
Pertsev N N, Schreyer W, Armbruster T, Bernhardt H J, Medenbach O
 
European Journal of Mineralogy 16 (2004) 151-161
Alumino-magnesiohulsite, a new member of the hulsite group, in kotoite marble from
east of Verkhoyansk, Sakha-Yakutia, Russia
Locality: east of Verkhoyansk, Sakha-Yakutia, Russia
_database_code_amcsd 0007030
5.3444 3.0300 10.506 90 94.46 90 P2/m
atom      x  y     z occ Biso
Fe3+1     0  0     0 .35  .57
Sn1       0  0     0 .30  .57
Al1       0  0     0 .30  .57
Fe2+1     0  0     0 .05  .57
Al2      .5  0    .5  .5  .57
Mg2      .5  0    .5  .5  .57
Al3       0  0    .5  .5  .57
Mg3       0  0    .5  .5  .57
Mg4      .5 .5     0  .9  .57
Fe2+4    .5 .5     0  .1  .57
Mg5   .2163 .5 .2802  .9  .57
Fe2+5 .2163 .5 .2802  .1  .57
B      .289  0  .758       .4
O1     .309  0 .8901       .6
O2     .495  0 .3069       .5
O3     .054  0 .6947       .4
O4     .179 .5 .0934       .4
O5     .247 .5  .476      1.1
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Aluminomagnesiohulsite
 
Pertsev N N, Schreyer W, Armbruster T, Bernhardt H J, Medenbach O
 
European Journal of Mineralogy 16 (2004) 151-161
Alumino-magnesiohulsite, a new member of the hulsite group, in kotoite marble from
east of Verkhoyansk, Sakha-Yakutia, Russia
Locality: east of Verkhoyansk, Sakha-Yakutia, Russia
_database_code_amcsd 0007031
5.3444 3.0300 10.506 90 94.46 90 P2/m
atom      x  y     z occ Biso
Fe3+1     0  0     0 .35  .57
Sn1       0  0     0 .30  .57
Al1       0  0     0 .30  .57
Fe2+1     0  0     0 .05  .57
Al2      .5  0    .5  .5  .57
Mg2      .5  0    .5  .5  .57
Al3       0  0    .5  .5  .57
Mg3       0  0    .5  .5  .57
Mg4      .5 .5     0  .9  .57
Fe2+4    .5 .5     0  .1  .57
Mg5   .2163 .5 .2802  .9  .57
Fe2+5 .2163 .5 .2802  .1  .57
B      .289  0  .758       .4
O1     .309  0 .8901       .6
O2     .495  0 .3069       .5
O3     .054  0 .6947       .4
O4     .179 .5 .0934       .4
O5     .247 .5  .476      1.1
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Olenite
Download hom/olenite.pdf
Ertl A, Schuster R, Prowatke S, Brandstatter F, Ludwig T, Bernhardt H J, Koller F, Hughes J M
 
European Journal of Mineralogy 16 (2004) 551-560
Mn-rich tourmaline and fluorapatite in a Variscan pegmatite
from Eibenstein an der Thaya, Bohemian massif, Lower Austria
Locality: Eibenstein an der Thaya, Bohemian massif, Lower Austria
_database_code_amcsd 0007078
15.9158 15.9158 7.1201 90 90 120 R3m
atom       x      y      z occ   Uiso
NaX        0      0    .25 .84  .0276
CaX        0      0    .25 .03  .0276
KX         0      0    .25 .01  .0276
AlY   .12372 .06186 -.3537 .48  .0113
Mn2+Y .12372 .06186 -.3537 .31  .0113
LiY   .12372 .06186 -.3537 .18  .0113
Fe2+Y .12372 .06186 -.3537 .02  .0113
TiY   .12372 .06186 -.3537 .01  .0113
AlZ   .29774 .26107 -.3694     .00761
SiT   .19196 .19001  .0196 .96 .00663
AlT   .19196 .19001  .0196 .04 .00663
B     .10984 .21968  .4736      .0082
F1         0      0 -.2003 .54  .0430
OH1        0      0 -.2003 .37  .0430
O1         0      0 -.2003 .09  .0430
O2    .06110 .12220  .5022      .0213
O3V   .26752 .13376 -.4715      .0128
O4    .09337 .18674  .0906      .0106
O5    .18708 .09354  .1130      .0114
O6    .19707 .18690 -.2057      .0098
O7    .28589 .28612  .0993      .0083
O8    .20995 .27077  .4601      .0101
H3V     .267  .1335   .416       .017
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Stavelotite-(La)
 
Bernhardt H J, Armbruster T, Fransolet A M, Schreyer W
 
European Journal of Mineralogy 17 (2005) 703-714
Stavelotite-(La), a new lanthanum-manganese-sorosilicate mineral from the Stavelot Massif, Belgium
Locality: Le Coreux, Salmchateau, Belgium
_database_code_amcsd 0007128
11.525 11.525 33.347 90 90 120 P3_1
atom      x     y     z occ  Uiso
La1   .5668 .7852 .1895     .0112
La2   .2129 .1087 .1898     .0112
La3   .8894 .4356 .1894     .0112
Mn1   .5579 .9520 .2772 .72 .0078
Fe1   .5579 .9520 .2772 .28 .0078
Mn2   .3631 .1101 .2791 .72 .0078
Fe2   .3631 .1101 .2791 .28 .0078
Mn3   .4145 .6357 .2790 .72 .0078
Fe3   .4145 .6357 .2790 .28 .0078
Mn4   .7339 .7774 .2790 .72 .0078
Fe4   .7339 .7774 .2790 .28 .0078
Mn5   .0435 .9326 .2788     .0078
Mn6   .2218 .2860 .2769 .72 .0078
Fe5   .2218 .2860 .2769 .28 .0078
Mn7   .7150 .2654 .2784 .72 .0078
Fe6   .7150 .2654 .2784 .28 .0078
Mn8   .0633 .4400 .2783 .72 .0078
Fe7   .0633 .4400 .2783 .28 .0078
Mn9   .8885 .5852 .2782 .72 .0078
Fe8   .8885 .5852 .2782 .28 .0078
Mn10  .2175 .2707 .0236 .72 .0078
Fe9   .2175 .2707 .0236 .28 .0078
Mn11  .0504 .4387 .0189 .72 .0078
Fe10  .0504 .4387 .0189 .28 .0078
Mn12  .5541 .4450 .0243     .0078
Mn13  .2200 .7710 .0239     .0078
Mn14  .8795 .1082 .0239     .0078
Mn15  .3862 .2806 .3531 .72 .0078
Fe11  .3862 .2806 .3531 .28 .0078
Mn16  .2165 .9420 .3515 .72 .0078
Fe12  .2165 .9420 .3515 .28 .0078
Mn17  .7188 .4335 .3547 .72 .0078
Fe13  .7188 .4335 .3547 .28 .0078
Mn18  .8939 .2765 .3558 .72 .0078
Fe14  .8939 .2765 .3558 .28 .0078
Mn19  .3958 .7877 .3552 .72 .0078
Fe15  .3958 .7877 .3552 .28 .0078
Mn20  .0600 .6086 .3531 .72 .0078
Fe16  .0600 .6086 .3531 .28 .0078
Cu1   .0565 .1111 .3580     .0078
Mn21  .3755 .2641 .1013 .72 .0078
Fe17  .3755 .2641 .1013 .28 .0078
Mn22  .7232 .9443 .0996 .72 .0078
Fe18  .7232 .9443 .0996 .28 .0078
Mn23  .0564 .6108 .0999 .72 .0078
Fe19  .0564 .6108 .0999 .28 .0078
Mn24  .2188 .9370 .1020 .72 .0078
Fe20  .2188 .9370 .1020 .28 .0078
Mn25  .5569 .6064 .1006 .72 .0078
Fe21  .5569 .6064 .1006 .28 .0078
Mn26  .7165 .4427 .1001 .72 .0078
Fe22  .7165 .4427 .1001 .28 .0078
Mn27  .3988 .7746 .0997 .72 .0078
Fe23  .3988 .7746 .0997 .28 .0078
Mn28  .0484 .1053 .1014 .72 .0078
Fe24  .0484 .1053 .1014 .28 .0078
Mn29  .8853 .2852 .0987 .72 .0078
Fe25  .8853 .2852 .0987 .28 .0078
Si1   .2378 .4605 .2060     .0084
Si2   .5482 .4339 .1719     .0084
Si3   .5379 .1097 .2069     .0084
Si4   .2247 .7697 .1720     .0084
Si5   .8871 .7588 .2065     .0084
Si6   .8855 .1100 .1716     .0084
Si7   .2228 .7759 .2683     .0084
Si8   .5553 .4453 .2681     .0084
Si9  -.1084 .1100 .2682     .0084
Si10  .5519 .1058 .1099     .0084
Si11  .2232 .4442 .1108     .0084
Si12  .8860 .7720 .1106     .0084
O1     .229  .775 .2210     .0132
O2     .890  .117 .2189     .0132
O3     .538  .973 .2200     .0132
O4     .100  .457 .2207     .0132
O5     .374  .596 .2225     .0132
O6     .024  .892 .2213     .0132
O7     .555  .634 .0397     .0132
O8     .081  .108 .0443     .0132
O9     .358  .246 .0471     .0132
O10    .035  .587 .0415     .0132
O11    .544  .429 .0878     .0132
O12    .882  .306 .0387     .0132
O13    .249  .476 .2917     .0132
O14    .033  .253 .3797     .0132
O15    .555  .299 .3741     .0132
O16    .085  .435 .0922     .0132
O17    .230  .643 .3738     .0132
O18    .570 -.009 .0938     .0132
O19    .343  .554 .0896     .0132
O20    .425  .098 .0909     .0132
O21    .667  .225 .0912     .0132
O22    .224  .313 .0961     .0132
O23    .536  .105 .1584     .0132
O24    .884  .761 .1582     .0132
O25    .361  .780 .1554     .0132
O26    .084  .639 .1538     .0132
O27    .414  .299 .1552     .0132
O28    .020  .115 .1570     .0132
O29    .225  .448 .1589     .0132
O30    .572  .776 .1121     .0132
O31    .205  .093 .1161     .0132
O32   -.120  .444 .1141     .0132
O33   -.114  .111 .0876     .0132
O34    .693  .922 .0412     .0132
O35    .015  .781 .0905     .0132
O36    .863  .895 .0956     .0132
O37    .749  .633 .0977     .0132
O38    .012  .224 .2873     .0132
O39    .886  .745 .2920     .0132
O40    .070  .969 .3360     .0132
O41    .431  .654 .3387     .0132
O42    .213  .254 .3373     .0132
O43    .346  .110 .3350     .0132
O44    .031  .435 .3358     .0132
O45    .890  .566 .3375     .0132
O46    .567  .927 .3379     .0132
O47    .523  .111 .2895     .0132
O48    .704  .786 .3363     .0132
O49    .748  .289 .3363     .0132
O50    .679  .436 .1554     .0132
O51    .672  .247 .2198     .0132
O52    .235  .323 .2201     .0132
O53    .558  .440 .2217     .0132
O54    .550  .570 .1556     .0132
O55    .885  .249 .1570     .0132
O56    .756  .980 .1529     .0132
O57    .224  .774 .0872     .0132
O58    .676  .428 .2869     .0132
O59    .221  .913 .2855     .0132
O60    .416  .313 .2851     .0132
O61    .225  .909 .1572     .0132
O62   -.127  .964 .2839     .0132
O63    .760  .113 .2834     .0132
O64    .591  .814 .2655     .0132
O65    .886  .409 .2638     .0132
O66    .755  .761 .2235     .0132
O67    .408  .109 .2226     .0132
O68    .189  .112 .2656     .0132
O69    .358  .779 .2852     .0132
O70    .572  .583 .2880     .0132
O71    .882  .622 .2219     .0132
O72    .094  .636 .2879     .0132
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Allanpringite
 
Kolitsch U, Bernhardt H J, Lengauer C L, Blass G, Tillmanns E
 
European Journal of Mineralogy 18 (2006) 793-801
Allanpringite, Fe3(PO4)2(OH)3*5H2O, a new ferric iron phosphate from Germany,
and its close relation to wavellite
Locality: Grube mark, Esserhausen, Weilburg/Lahn, Taunus, Hesse, Germany
_database_code_amcsd 0007186
9.777 7.358 17.830 90 92.19 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)
Fe1    .27493  .6185 .24870 .92 .0171  .0184  .0090  .0238 -.0001 -.0013  .0015
Al1    .27493  .6185 .24870 .08 .0171  .0184  .0090  .0238 -.0001 -.0013  .0015
Fe2    .74539  .6422 .48712 .91 .0158  .0162  .0080  .0231  .0001 -.0003  .0006
Al2    .74539  .6422 .48712 .09 .0158  .0162  .0080  .0231  .0001 -.0003  .0006
Fe3    .75612  .1425 .48182 .92 .0173  .0176  .0077  .0265 -.0009  .0015 -.0006
Al3    .75612  .1425 .48182 .08 .0173  .0176  .0077  .0265 -.0009  .0015 -.0006
P1      .4372  .6104 .41119     .0177  .0173  .0138  .0220  .0003  .0001 -.0006
P2      .0548  .0969 .40389     .0186  .0198  .0127  .0232  .0014  .0012  .0026
O1      .5892  .5640  .4167     .0214
O2      .3540  .4376  .4233     .0175
O3      .4036  .7604  .4680     .0235
O4      .4020  .6856  .3314      .028
O5      .0958  .2626  .4496     .0232
O6      .0789  .1253  .3213      .035
O7      .1326 -.0757  .4270     .0195
O8      .9017  .0651  .4120     .0187
OH9     .2100  .8627  .2254      .030
Wat10   .1230  .5470  .1677      .036
Wat11   .1124  .6196  .3313      .046
OH12    .8304  .3953  .4809     .0221
OH13    .6734  .8950  .4823     .0257
Wat14   .8481  .7077  .3886     .0260
Wat15   .6400  .2078  .3796      .028
Wat16a   .811   .238  .2513  .5  .050
Wat16b   .775   .114  .2496  .5  .059
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sursassite
Download hom/sursassite.pdf
Hatert F, Fransolet A M, Wouters J, Bernhardt H J
 
European Journal of Mineralogy 20 (2008) 993-998
The crystal structure of sursassite from the Lienne Valley,
Stavelot Massif, Belgium
Locality: Lienne syncline, Stravelot Massif, Belgium
_database_code_amcsd 0007270
8.697 5.787 9.769 90 108.91 90 P2_1/m
atom      x     y     z occ  Uiso
MnMn1 .1675   .25 .3137 .79 .0147
CaMn1 .1675   .25 .3137 .21 .0147
Mn2   .2675   .25 .6750     .0187
AlAl1    .5     0    .5 .89 .0116
MnAl1    .5     0    .5 .11 .0116
Al2      .5     0     0     .0098
Al3       0    .5     0     .0084
Si1   .3074   .75 .1925     .0088
Si2   .2067   .75 .8076     .0091
Si3   .1557   .75 .4937     .0114
O1    .2646 .5134 .5019     .0145
O2    .1912 .5237 .1643     .0106
O3    .3139 .5168 .8333     .0128
O4    .4149   .75 .0821     .0092
O5    .4491   .75 .3538     .0117
O6    .0843   .25 .9292  .5 .0113
OH6   .0843   .25 .9292  .5 .0113
O7    .4385   .25 .3672  .5 .0125
OH7   .4385   .25 .3672  .5 .0125
O8    .0712   .75 .8939     .0102
O9    .0919   .75 .6372     .0104
OH10 -.0085   .75 .3568     .0170
OH11  .4108   .25 .0742     .0121
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Olenite
Download hom/olenite.pdf
Ertl A, Pertlik F, Bernhardt H J
 
Anzeiger der Osterreichische Akademie der Wissenschaften 134 (1997) 3-10
Investigations on olenite with exess boron from Koralpe, Styria, Austria
Locality: Koralpe, Styria, Austria
_database_code_amcsd 0018673
15.7395 15.7395 7.0656 90 90 120 R3m
atom       x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaX        0      0  .7863  .42        .0240  .0240  .0205      0      0  .0120
CaX        0      0  .7863  .30        .0240  .0240  .0205      0      0  .0120
AlY   .72742 .45484 .69377 .798        .0090  .0098  .0127  .0020  .0010  .0049
LiY   .72742 .45484 .69377 .202        .0090  .0098  .0127  .0020  .0010  .0049
AlZ   .70336 .73949 .39367 .978        .0100  .0112  .0087  .0006 -.0008  .0054
LiZ   .70336 .73949 .39367 .022        .0100  .0112  .0087  .0006 -.0008  .0054
SiT   .80884 .81074 .00000 .873        .0096  .0089  .0086 -.0007  .0001  .0037
BT    .80884 .81074 .00000 .127        .0096  .0089  .0086 -.0007  .0001  .0037
B     .89097 .78193 .54964             .0097  .0094  .0103  .0047  .0003  .0006
O1         0      0  .2293             .0172  .0172  .0147  .0086      0      0
O2    .94018 .88036 .50990             .0183  .0092  .0165  .0046 .00065  .0013
O3    .79598 .59197 .82810  .95        .0133  .0233  .0099 .01165 .00055  .0011
F3    .79598 .59197 .82810  .05        .0133  .0233  .0099 .01165 .00055  .0011
O4    .90602 .81204 .92518             .0151  .0197  .0136 .01985 .00115 -.0023
O5    .42632 .85264 .57106             .0157  .0227  .0128 .01135 .00025 -.0005
O6    .80684 .81726 .22691             .0107  .0111  .0101  .0043  .0004 -.0002
O7    .71337 .71409 .92579             .0110  .0110  .0106  .0042  .0012 -.0008
O8    .79067 .73015 .56501             .0090  .0126  .0116  .0053  .0010  .0032
H3      .794   .589   .956  .95 .0517
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Adelite
Download hom/adelite.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Kapellasite
 
Krause W, Bernhardt H J, Braithwaite R S W, Kolitsch U, Pritchard R
 
Mineralogical Magazine 70 (2006) 329-340
Kapellasite, Cu3Zn(OH)6Cl2, a new mineral from Lavrion, Greece, and its
crystal structure
Locality: Lavrion, Greece
_database_code_amcsd 0014577
6.300 6.300 5.733 90 90 120 P-3m1
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Cu      .5     0    .5     .0165  .0130  .0153  .0221  .0076  .00060  .0012
Zn       0     0    .5     .0176  .0134  .0134  .0259  .0067       0      0
Cl1    1/3   2/3 .1373     .0251  .0276  .0276  .0200  .0138       0      0
Cl2  .3544 .1772 .3454 .03 .0161  .0179  .0155  .0158  .0090  -.0012  .0006
OH2  .3544 .1772 .3454 .97 .0161  .0179  .0155  .0158  .0090  -.0012  .0006
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Arsenohopeite
 
Neuhold F, Kolitsch U, Bernhardt H J, Lengauer C L
 
Mineralogical Magazine 76 (2012) 603-612
Arsenohopeite, a new zinc arsenate mineral from the Tsumeb mine, Namibia
Locality: Tsumeb, Namibia
_database_code_amcsd 0018914
10.804 19.003 5.112 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)
Zn1  .23741     .25 .57469 .82 .01912  .0181  .0218  .0175       0  .0016       0
Fe1  .23741     .25 .57469 .08 .01912  .0181  .0218  .0175       0  .0016       0
Mn1  .23741     .25 .57469 .05 .01912  .0181  .0218  .0175       0  .0016       0
Mg1  .23741     .25 .57469 .05 .01912  .0181  .0218  .0175       0  .0016       0
Zn2  .14543 -.00046 .20551     .01842  .0175  .0217  .0160 -.00016 .00024 -.00066
As   .10007 .095516 .71834     .01728  .0202 .01588 .01579  .00072 .00112 -.00028
O4    .1407  .17731  .7895      .0299  .0461  .0187  .0247  -.0117  .0138  -.0050
O5    .0996  .08142  .3953      .0389   .074  .0271  .0152   .0166 -.0058  -.0048
O6    .4619  .07907  .6452      .0290  .0194  .0261  .0416  -.0025 -.0045   .0077
O7    .1986  .03623  .8592      .0226  .0191  .0303  .0184   .0041  .0053   .0058
OW1   .1072     .25  .2645      .0290   .029   .034   .023       0 -.0035       0
OW2   .3858     .25  .8494      .0366   .020   .055   .035       0  -.004       0
OW3   .3354  .17204  .3427      .0375   .036  .0329   .043   .0090  .0028   .0027
H11    .115    .290   .169        .09
H21    .462     .25   .795        .06
H31    .380    .135   .373        .13
H32    .290    .145   .286        .14
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Brendelite
Download hom/brendelite.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Abswurmbachite
Download hom/abswurmbachite.pdf
Reinecke T, Tillmanns E, Bernhardt H J
 
Neues Jahrbuch fur Mineralogie, Abhandlungen 163 (1991) 117-143
Abswurmbachite, CuMn6[O8/SiO4], a new mineral of the braunite
group: natural occurrence, synthesis, and crystal structure
_database_code_amcsd 0014719
9.406 9.406 18.546 90 90 90 *I4_1/acd
0 -.25 .125
atom      x      y     z occ Biso
Mn1       0    .25  .125 .84 1.31
Cu1       0    .25  .125 .16 1.31
Mn2       0      0     0 .94  .51
Cu2       0      0     0 .06  .51
Mn3     .25 .21001     0 .92  .48
Cu3     .25 .21001     0 .08  .48
Mn4  .22789  .0221  .625 .94  .50
Cu4  .22789  .0221  .625 .06  .50
Si        0    .25  .375      .40
O1    .1436  .8470 .9440      .92
O2    .1481  .0665 .0566      .68
O3    .0763  .1324 .9253      .68
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Crerarite
Download hom/crerarite.pdf
Cook N J, Wood S A, Gebert W, Bernhardt H J, Medenbach O
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1994 (1994) 567-575
Crerarite, a new Pt-Bi-Pb-S mineral from the Cu-Ni-PGE deposit at Lac Sheen,
Abitibi-Temiscaminque, Quebec, Canada
Locality: Lac Sheen, Abitibi-Temiscaminque, Quebec, Canada
_database_code_amcsd 0018370
5.86 5.865 5.86 90 90 90 Fm3m
atom  x  y  z  occ   Uiso
Bi    0  0  0  .75 .05802
Pt    0  0  0 .125 .05802
Pb    0  0  0 .125 .05802
S    .5 .5 .5 .796 .02303
Se   .5 .5 .5 .026 .02303
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Hechtsbergite
Download hom/hechtsbergite.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Na-komarovite
 
Balic-Zunic T, Petersen O V, Bernhardt H J, Micheelsen H I
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 497-514
The crystal structure and mineralogical description of a Na-dominant
komarovite from the Ilimaussaq alkaline complex, South Greenland
Locality: Ilimaussaq, South Greenland
_database_code_amcsd 0014922
7.310 24.588 7.402 90 90 90 Cmmm
atom     x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K3       0      0   .186  .09   .028   .086   .031      0      0      0
Na3      0      0   .186  .41   .028   .086   .031      0      0      0
Na1    .25    .25     .5 .105  .0127  .0163  .0198  .0018      0      0
Na2     .5  .1509  .2384        .036   .026   .021      0      0   .004
Ca1    .25    .25     .5 .895  .0127  .0163  .0198  .0018      0      0
Ti1    .25    .25      0 .218  .0104  .0116  .0109 -.0017      0      0
Nb1    .25    .25      0 .782  .0104  .0116  .0109 -.0017      0      0
Nb2      0 .14545 .24854 .853  .0075  .0142  .0244      0      0  .0117
Ti2      0 .14545 .24854 .147  .0075  .0142  .0244      0      0  .0117
Si   .2807 .06468     .5       .0054  .0067  .0089  .0002      0      0
O1       0  .2776      0        .008   .008   .014      0      0      0
O2       0  .1150      0        .016   .009   .012      0      0      0
O3       0  .1736     .5        .012   .014   .008      0      0      0
O4   .1890  .1967  .1917        .008   .013   .012 -.0012  .0013  .0016
O5   .1945  .0902  .3187        .017   .016   .009   .006 -.0012  .0006
O6      .5  .0764     .5        .005   .026   .030      0      0      0
O7   .2432      0     .5        .028   .007   .025      0      0      0
F        0  .3013     .5        .013   .018   .018      0      0      0
Wat1    .5  .0873      0        .055   .036   .049      0      0      0
Wat2  .216      0   .066   .5   .048   .042   .027      0   .003      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 44
View in amc, download in amc

Return to AMCSD Home Page