American Mineralogist Crystal Structure Database

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Haidingerite
Download hom/haidingerite.pdf
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: neutron refinement
Locality: synthetic
_database_code_amcsd 0009420
6.904 16.161 7.935 90 90 90 Pcnb
atom      x     y      z Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Ca    .6250 .0471  .1829      .002570 .001445 .005718  .000022  .000228  .000000
As    .1277 .1090  .0590  .70
O1    .2190 .1996  .1438      .010175 .002699 .008497 -.000762 -.003331 -.000136
O2   -.0372 .0736  .1928      .020140 .002048 .017629 -.002913 -.001186  .000897
O3    .0483 .1320 -.1324      .016574 .005178 .006988  .000112 -.002145  .000390
O4    .3029 .0359  .0594      .005402 .000957 .007703 -.000359 -.001460 -.000273
Ow5   .6223 .1595 -.0076      .001469 .001790 .005122 -.000336  .000639  .000351
H1    .3121 .1834  .2342      .004353 .001627 .004368 -.000090 -.000776  .000253
H2    .6844 .2113  .0111      .001678 .001187 .006909  .000448 -.000639 -.000390
H3    .5806 .1522 -.1199      .009965 .001656 .007822 -.000762 -.003331  .000253
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