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Haidingerite |
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Ferraris G, Jones D W, Yerkess J |
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Acta Crystallographica B28 (1972) 209-214 |
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A neutron and X-ray refinement of the crystal structure of CaHAsO4*H2O (haidingerite) |
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Sample: neutron refinement |
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Locality: synthetic |
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_database_code_amcsd 0009420 |
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6.904 16.161 7.935 90 90 90 Pcnb |
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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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Ca .6250 .0471 .1829 .002570 .001445 .005718 .000022 .000228 .000000 |
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As .1277 .1090 .0590 .70 |
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O1 .2190 .1996 .1438 .010175 .002699 .008497 -.000762 -.003331 -.000136 |
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O2 -.0372 .0736 .1928 .020140 .002048 .017629 -.002913 -.001186 .000897 |
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O3 .0483 .1320 -.1324 .016574 .005178 .006988 .000112 -.002145 .000390 |
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O4 .3029 .0359 .0594 .005402 .000957 .007703 -.000359 -.001460 -.000273 |
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Ow5 .6223 .1595 -.0076 .001469 .001790 .005122 -.000336 .000639 .000351 |
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H1 .3121 .1834 .2342 .004353 .001627 .004368 -.000090 -.000776 .000253 |
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H2 .6844 .2113 .0111 .001678 .001187 .006909 .000448 -.000639 -.000390 |
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H3 .5806 .1522 -.1199 .009965 .001656 .007822 -.000762 -.003331 .000253 |
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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 (permalink) |
| |
|
Haidingerite |
|
Ferraris G, Jones D W, Yerkess J |
|
Acta Crystallographica B28 (1972) 209-214 |
|
A neutron and X-ray refinement of the crystal structure of CaHAsO4*H2O (haidingerite) |
|
Sample: X-ray refinement |
|
Locality: synthetic |
|
_database_code_amcsd 0009421 |
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6.904 16.161 7.935 90 90 90 Pcnb |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .6263 .0476 .1841 .008392 .001838 .006551 .000090 -.000913 .000760 |
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As .1283 .1090 .0589 .007186 .000000 .003573 .003137 .005294 .000078 |
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O1 .2249 .2007 .1428 .018672 .001101 .007782 .001748 -.006800 -.000624 |
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O2 -.0413 .0744 .1909 .006871 .001656 .007068 -.001076 .001141 -.002105 |
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O3 .0547 .1324 -.1336 .015892 .001723 .006512 -.000739 .005978 .000078 |
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O4 .3005 .0365 .0549 .010700 .001589 .009410 .002890 -.000228 -.000702 |
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Wat .6239 .1603 -.0064 .014686 .001053 .006948 -.001905 -.006069 -.000546 |
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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 (permalink) |
| |
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