American Mineralogist Crystal Structure Database

3 matching records for this search.

Metatorbernite
Download hom/metatorbernite.pdf
Stubbs J E, Post J E, Elbert D C, Heaney P J, Veblen D R
 
American Mineralogist 95 (2010) 1132-1140
Uranyl phosphate sheet reconstruction during dehydration of
metatorbernite [Cu(UO2)2(PO4)2*8H2O]
Note: This is the 8.7 Angstrom phase while heating at 31.5 C
Locality: Bois Noirs, France
_database_code_amcsd 0016811
6.96519 6.96519 17.3102 90 90 90 *P4/n
.25 -.25 0
atom     x     y      z  Uiso
Cu     .25   .25  .3092 .0072
U1     .25   .25 .05242 .0083
U2     .25   .25 .55092 .0083
P1     .25   .75      0 .0138
P2     .25   .75     .5 .0138
O1     .25   .25  .4474   .01
O2     .25   .25  .9484   .01
O3     .25   .25  .6521   .01
O4     .25   .25  .1542   .01
O5    .299 .9083  .0571   .01
O6    .215 .9304  .5482   .01
Wat7 .5280 .2797  .3147   .01
Wat8 .3392 .5149  .8048   .01
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Metatorbernite
Download hom/metatorbernite.pdf
Stubbs J E, Post J E, Elbert D C, Heaney P J, Veblen D R
 
American Mineralogist 95 (2010) 1132-1140
Uranyl phosphate sheet reconstruction during dehydration of
metatorbernite [Cu(UO2)2(PO4)2*8H2O]
Note: This is the 8.3 Angstrom phase while heating at 129 C
Locality: Bois Noirs, France
_database_code_amcsd 0016812
6.95510 6.95510 16.6604 90 90 90 *P4/n
.25 -.25 0
atom     x     y      z  occ  Uiso
Cu1    .25   .25  .2999 .881 .0135
U1     .25   .25 .04955      .0135
U2     .25   .25 .55328      .0135
P1     .25   .75      0      .0133
P2     .25   .75     .5      .0133
O1     .25   .25  .4485        .01
O2     .25   .25  .9400        .01
O3     .25   .25  .6588        .01
O4     .25   .25  .1519        .01
O5    .304 .9096  .0579       .022
O6    .266 .9319  .5515       .022
Wat7  .559  .172  .2989  .69   .03
Wat8 .3396  .455  .8059 .841   .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)
 
Metatorbernite
Download hom/metatorbernite.pdf
Stubbs J E, Post J E, Elbert D C, Heaney P J, Veblen D R
 
American Mineralogist 95 (2010) 1132-1140
Uranyl phosphate sheet reconstruction during dehydration of
metatorbernite [Cu(UO2)2(PO4)2*8H2O]
Note: This is the 6.9 Angstrom phase while heating at 173 C
Locality: Bois Noirs, France
_database_code_amcsd 0016813
14.4979 7.0159 6.6312 90 107.585 90 P2_1
atom       x     y     z  occ  Uiso
Cu1    .2324  .475  .527 .930  .008
U1     .0188 .7894 .1541      .0114
U2     .4942 .2192 .8375      .0114
P1     .0559 .2993 .3491       .027
P2     .4918 .7013 .6356       .027
O1     .1461  .844  .227        .01
O2     .3627  .245  .774        .01
O3    -.1081  .730  .086        .01
O4     .6234  .206  .889        .01
O5     .0542  .469  .202        .01
O6     .5189  .539  .801        .01
O7     .0130  .125  .202        .01
O8     .5060  .884  .773        .01
O9    -.0110  .339  .491        .01
O10    .5654  .703  .519        .01
O11    .1596  .250  .472        .01
O12    .3844  .689  .497        .01
Wat13   .749 -.041  .042        .01
Wat14   .701 -.191  .724        .01
Wat15   .731  .499  .792        .01
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: 3
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