American Mineralogist Crystal Structure Database

8 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
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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
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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
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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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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
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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)
 
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Total number of retrieved datasets: 8
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