American Mineralogist Crystal Structure Database

3 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
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
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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