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Mixite |
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Miletich R, Zemann J, Nowak M |
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Physics and Chemistry of Minerals 24 (1997) 411-422 |
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Reversible hydration in synthetic mixite, BiCu6(OH)6(AsO4)3.nH2O(n<=3): |
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hydration kinetics and crystal chemistry |
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Sample: H20 |
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_database_code_amcsd 0008026 |
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13.633 13.633 5.913 90 90 120 P6_3/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Bi 1/3 2/3 1/4 1.64 .00311 .00311 .01045 .001555 0 0 |
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Cu .41073 .09644 .49716 1.60 .00379 .00237 .00838 .00128 -.00041 .00006 |
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As .65647 .14974 1/4 1.33 .00257 .00239 .00889 .00126 0 0 |
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O1 .7991 .2138 1/4 1.63 .00143 .00411 .01185 -.00120 0 0 |
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O2 .6092 .0079 1/4 1.57 .00289 .00205 .00656 -.00016 0 0 |
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O3 .6045 .1787 .4816 1.56 .00299 .00281 .00944 .00127 .00004 -.00206 |
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OH4 .3699 -.0097 1/4 1.58 .00425 .00269 .00602 .00170 0 0 |
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OH5 .4427 .1970 3/4 1.52 .00494 .00241 .00493 .00216 0 0 |
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WatO6 .010 .179 1/4 2/12 2.6 |
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WatO7 .185 .068 .012 2/12 3.2 |
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WatO8 .159 .204 .104 1/12 1.9 |
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WatO9 .190 .113 .112 1/12 2.5 |
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WatO10 .175 .161 -.007 1/12 2.7 |
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View JMOL 3-D Structure
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|
Mixite |
|
Miletich R, Zemann J, Nowak M |
| |
Physics and Chemistry of Minerals 24 (1997) 411-422 |
|
Reversible hydration in synthetic mixite, BiCu6(OH)6(AsO4)3.nH2O(n<=3): |
|
hydration kinetics and crystal chemistry |
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Sample: N2 |
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_database_code_amcsd 0008027 |
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13.631 13.631 5.905 90 90 120 P6_3/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Bi 1/3 2/3 1/4 1.30 .00246 .00246 .00833 .00123 0 0 |
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Cu .41039 .09640 .49746 1.23 .00309 .00183 .00629 .00114 -.00014 .00001 |
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As .65630 .14978 1/4 1.00 .00180 .00177 .00637 .00075 0 0 |
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O1 .8012 .2158 1/4 1.37 .00168 .00356 .00657 -.00093 0 0 |
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O2 .6082 .0075 1/4 1.57 .00442 .00227 .00856 -.00093 0 0 |
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O3 .6049 .1776 .4825 1.35 .00178 .00278 .00967 .00102 .00039 -.00135 |
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OH4 .3695 -.0057 1/4 1.26 .00352 .00225 .00654 .00191 0 0 |
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OH5 .4403 .1961 3/4 1.59 .00443 .00245 .00723 .00178 0 0 |
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WatO6 .021 .185 1/4 1/12 3.3 |
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WatO8 .168 .195 .083 1/12 3.0 |
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WatO9 .191 .118 .109 1/24 2.1 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Cr2SiO4 |
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Miletich R, Nowak M, Seifert F, Angel R J, Brandstatter G |
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Physics and Chemistry of Minerals 26 (1999) 446-459 |
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High-pressure crystal chemistry of chromous orthosilicate, Cr2SiO4. |
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A single-crystal X-ray diffraction and electronic absorption |
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spectroscopy study |
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Sample in air: P = 0.0001 GPa |
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_database_code_amcsd 0008222 |
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5.7005 11.1651 9.5847 90 90 90 *Fddd |
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.125 .125 .125 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cr 1/8 1/8 .48166 .93 .00572 .00137 .00372 .00015 0 0 |
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Si 1/8 1/8 1/8 .73 .00505 .00129 .00240 0 0 0 |
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O -.04364 .04919 .22985 .95 .00630 .00170 .00320 -.00036 .00058 .00025 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Cr2SiO4 |
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Miletich R, Nowak M, Seifert F, Angel R J, Brandstatter G |
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Physics and Chemistry of Minerals 26 (1999) 446-459 |
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High-pressure crystal chemistry of chromous orthosilicate, Cr2SiO4. |
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A single-crystal X-ray diffraction and electronic absorption |
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spectroscopy study |
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Sample in diamond anvil cell: P = 0.0001 GPa |
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_database_code_amcsd 0008223 |
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5.7007 11.1653 9.5850 90 90 90 *Fddd |
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.125 .125 .125 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cr 1/8 1/8 .48148 .96 .00568 .00137 .00400 .00034 0 0 |
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Si 1/8 1/8 1/8 .73 .00507 .00129 .00244 0 0 0 |
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O -.0434 .0484 .2304 .96 .00635 .00170 .00330 -.00015 .00058 -.00059 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
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Cr2SiO4 |
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Miletich R, Nowak M, Seifert F, Angel R J, Brandstatter G |
| |
Physics and Chemistry of Minerals 26 (1999) 446-459 |
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High-pressure crystal chemistry of chromous orthosilicate, Cr2SiO4. |
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A single-crystal X-ray diffraction and electronic absorption |
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spectroscopy study |
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Sample: P = 3.106 GPa |
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_database_code_amcsd 0008224 |
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5.6804 11.1174 9.3842 90 90 90 *Fddd |
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.125 .125 .125 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cr 1/8 1/8 .48147 .93 .00643 .00137 .00366 .00022 0 0 |
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Si 1/8 1/8 1/8 .76 .00519 .00129 .00278 0 0 0 |
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O -.0424 .0501 .2314 .98 .00513 .00170 .00410 -.00017 .00039 -.00008 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
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Cr2SiO4 |
| |
Miletich R, Nowak M, Seifert F, Angel R J, Brandstatter G |
| |
Physics and Chemistry of Minerals 26 (1999) 446-459 |
|
High-pressure crystal chemistry of chromous orthosilicate, Cr2SiO4. |
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A single-crystal X-ray diffraction and electronic absorption |
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spectroscopy study |
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Sample: P = 5.303 GPa |
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_database_code_amcsd 0008225 |
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5.6650 11.0863 9.2742 90 90 90 *Fddd |
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.125 .125 .125 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cr 1/8 1/8 .48120 .89 .00620 .00137 .00351 -.00013 0 0 |
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Si 1/8 1/8 1/8 .73 .00575 .00129 .00234 0 0 0 |
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O -.0415 .0492 .2336 1.0 .00706 .00170 .00363 -.00260 .00054 -.00005 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cr2SiO4 |
| |
Miletich R, Nowak M, Seifert F, Angel R J, Brandstatter G |
| |
Physics and Chemistry of Minerals 26 (1999) 446-459 |
|
High-pressure crystal chemistry of chromous orthosilicate, Cr2SiO4. |
|
A single-crystal X-ray diffraction and electronic absorption |
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spectroscopy study |
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Sample: P = 7.300 GPa |
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_database_code_amcsd 0008226 |
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5.6512 11.0598 9.1910 90 90 90 *Fddd |
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.125 .125 .125 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cr 1/8 1/8 .48137 .88 .00640 .00137 .00341 -.00100 0 0 |
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Si 1/8 1/8 1/8 .70 .00541 .00129 .00233 0 0 0 |
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O -.0425 .0502 .2344 .96 .00697 .00170 .00346 -.00084 .00053 .00047 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cr2SiO4 |
| |
Miletich R, Nowak M, Seifert F, Angel R J, Brandstatter G |
| |
Physics and Chemistry of Minerals 26 (1999) 446-459 |
|
High-pressure crystal chemistry of chromous orthosilicate, Cr2SiO4. |
|
A single-crystal X-ray diffraction and electronic absorption |
|
spectroscopy study |
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Sample: P = 9.220 GPa |
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_database_code_amcsd 0008227 |
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5.6374 11.0375 9.1192 90 90 90 *Fddd |
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.125 .125 .125 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cr 1/8 1/8 .48168 .82 .00606 .00137 .00308 -.00016 0 0 |
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Si 1/8 1/8 1/8 .71 .00635 .00129 .00209 0 0 0 |
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O -.0417 .0494 .2356 .94 .00745 .00170 .00318 -.00313 .00110 -.00056 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
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