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American Mineralogist Crystal Structure Database

2 matching records for this search.

Mrazekite
Download hom/mrazekite.pdf
Ridkosil T, Srein V, Fabry J, Hybler J, Maximov B A
Download cm/vol30/CM30_215.pdf
The Canadian Mineralogist 30 (1992) 215-224
Mrazekite, Bi2Cu3(OH)2O2(PO4)2.2H2O, a new mineral species
and its crystal structure
_database_code_amcsd 0005275
12.359 6.331 9.060 90 122.71 90 C2/m
atom     x     y      z Biso
Bi   .1595     0  .0907 1.54
Cu1      0    .5      0  1.2
Cu2    .25   .25     .5 1.75
P    .3061    .5  .2522  1.1
O1   .1639     0  .3607  1.9
OH2  .0856     0 -.2146  2.0
O3   .1805    .5  .0691  2.2
O4       0 .2070      0  2.2
O5   .3153 .3028  .3526  3.3
Wat6 .0366    .5  .3248  3.1
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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)
 
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Total number of retrieved datasets: 2
View in amc, download in amc

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