Phase-A
Kagi H, Parise J B, Cho H, Rossman G R, Loveday J S
Physics and Chemistry of Minerals 27 (2000) 225-233
Hydrogen bonding interactions in phase A [Mg7Si2O8(OH)6]
at ambient and high pressure
Sample: P = 3.2 GPa
_database_code_amcsd 0008405
7.7972 7.7972 9.5071 90 90 120 P6_3
atom     x     y     z Biso
Mg1  .3722 .4547 .3857  .28
Mg2  .2252 .2438 .1127  .28
Mg3    1/3   2/3 .1029  .28
Si1    2/3   1/3 .1741  .17
Si2      0     0 .4018  .17
O1   .2001 .0274 -.024  .25
O2   .4766 .0988 .4844  .25
O3   .4538 .2947 .2320  .25
O4   .1704 .4367 .2398  .25
O5     2/3   1/3     0  .25
O6       0     0 .2323  .25
HD1   .454  .165  .400 1.48
HD2   .032  .363  .233 1.48