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 = 0 GPa
_database_code_amcsd 0008404
7.8563 7.8563 9.5642 90 90 120 P6_3
atom x y z Biso
Mg1 .3722 .4547 .3857 .78
Mg2 .2252 .2438 .1127 .78
Mg3 1/3 2/3 .1029 .78
Si1 2/3 1/3 .1741 .67
Si2 0 0 .4018 .67
O1 .2001 .0274 -.024 .74
O2 .4766 .0988 .4844 .74
O3 .4538 .2947 .2320 .74
O4 .1704 .4367 .2398 .74
O5 2/3 1/3 0 .74
O6 0 0 .2323 .74
HD1 .455 .161 .405 2.6
HD2 .038 .361 .240 2.6
Sample: P = 3.2 GPa
_database_code_amcsd 0008405
7.7972 7.7972 9.5071 90 90 120 P6_3
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
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Total number of retrieved datasets: 2 View in amc, download in amc
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