American Mineralogist Crystal Structure Database

1 matching records for this search.

Ardealite
Download hom/ardealite.pdf
Sakae T, Nagata H, Sudo T
Download am/vol63/AM63_520.pdf
American Mineralogist 63 (1978) 520-527
The crystal structure of synthetic calcium phosphate - sulfate hydrate,
Ca2HPO4SO4.4H2O, and its relation to brushite and gypsum
_database_code_amcsd 0000666
5.721 30.992 6.250 90 117.26 90 Cc
atom    x     y    z occ Biso
Ca1  .500 .0383  .25      1.5
Ca2  .590 .2120 .428      1.1
S1   .999 .0388 .747  .5   .6
P1   .999 .0388 .747  .5   .6
S2   .592 .2111 .937  .5  1.6
P2   .592 .2111 .937  .5  1.6
O1   .942 .0700 .549      1.7
O2   .038 .0632 .976      1.8
O3   .771 .0098 .676      2.0
O4   .257 .0151 .828      2.0
O5   .412 .1852 .714      3.1
O6   .735 .1809 .140      2.0
O7   .775 .2354 .872      2.2
O8   .432 .2399 .001      1.5
Wat1 .373 .0875 .493      2.6
Wat2 .614 .0931 .019      2.0
Wat3 .227 .1620 .200      3.1
Wat4 .940 .1554 .654      3.1
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