American Mineralogist Crystal Structure Database

2 matching records for this search.

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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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