American Mineralogist Crystal Structure Database

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Phase-B-superhydrous
 
Pacalo R E G, Parise J B
Download am/vol77/AM77_681.pdf
American Mineralogist 77 (1992) 681-684
Crystal structure of superhydrous B, a hydrous magnesium silicate synthesized at
1400 C and 20 GPa
_database_code_amcsd 0001483
5.0894 13.968 8.6956 90 90 90 Pnnm
atom       x       y      z Biso
Si1       .5       0      0 0.35
Si2   .48601  .37652      0 0.29
Mg1   .16941  .17351      0 0.54
Mg2   .15831  .32346 .32380 0.53
Mg3       .5      .5 .32127 0.40
Mg4       .5       0 .34189 0.43
O1    .33221  .41318 .15612 0.46
O2    .49309  .25923      0 0.43
O3    .79141  .41450      0 0.47
O4    .35640  .07307 .14464 0.41
Oh5  -.01745  .25185 .15920 0.61
O6    .19568 -.07921      0 0.51
H1    -.0769   .3026  .1085  4.3
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