|
Ardealite |
 |
Sakae T, Nagata H, Sudo T |
 |
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
