Phase-A
Horiuchi H, Morimoto N, Yamamoto K, Akimoto S I
American Mineralogist 64 (1979) 593-598
Crystal structure of 2Mg2SiO4.3Mg(OH)2, a new high-pressure structure type
_database_code_amcsd 0000737
7.8603 7.8603 9.5730 90 90 120 P6_3
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1 .3722 .4547 .3857 0.00289 0.00292 0.00145 0.00125 -.00047 0.00005
Mg2 .2252 .2438 .1127 0.00291 0.00242 0.00126 0.00127 -.00039 -.00033
Mg3 1/3 2/3 .1029 0.00283 0.00283 0.00133 0.00142 0 0
Si1 2/3 1/3 .1741 0.00196 0.00196 0.00073 0.00098 0 0
Si2 0 0 .4018 0.00204 0.00204 0.00070 0.00102 0 0
O1 .2001 .0274 -.024 0.00251 0.00240 0.00118 0.00118 -.00006 -.00010
O2 .4766 .0988 .4844 0.00320 0.00268 0.00136 0.00149 0.00004 -.00012
O3 .4538 .2947 .2320 0.00219 0.00401 0.00136 0.00164 -.00016 -.00007
O4 .1704 .4367 .2398 0.00293 0.00280 0.00176 0.00145 0.00021 0.00023
O5 2/3 1/3 0 0.00279 0.00279 0.00120 0.00139 0 0
O6 0 0 .2323 0.00366 0.00366 0.00055 0.00183 0 0
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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 = 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
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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
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