Phase-D (Al-rich)
Boffa Ballaran T, Frost D J, Miyajima N, Heidelbach F
American Mineralogist 95 (2010) 1113-1116
The structure of a super-aluminous version of the dense
hydrous-magnesium silicate phase D
Locality: synthetic
_database_code_amcsd 0005072
4.7621 4.7621 4.2964 90 90 120 P-31m
atom     x   y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgM1     0   0     0 .06  .0194  .0194  .0160  .0097      0      0
FeM1     0   0     0 .07  .0194  .0194  .0160  .0097      0      0
AlM1     0   0     0 .49  .0194  .0194  .0160  .0097      0      0
SiM1     0   0     0 .33  .0194  .0194  .0160  .0097      0      0
MgM2   1/3 2/3    .5 .04  .0107  .0107  .0115 .00535      0      0
FeM2   1/3 2/3    .5 .05  .0107  .0107  .0115 .00535      0      0
AlM2   1/3 2/3    .5 .32  .0107  .0107  .0115 .00535      0      0
SiM2   1/3 2/3    .5 .22  .0107  .0107  .0115 .00535      0      0
MgM3   1/3 2/3     0 .01  .0057  .0057  .0049 .00285      0      0
FeM3   1/3 2/3     0 .02  .0057  .0057  .0049 .00285      0      0
AlM3   1/3 2/3     0 .10  .0057  .0057  .0049 .00285      0      0
SiM3   1/3 2/3     0 .07  .0057  .0057  .0049 .00285      0      0
O    .6659   0 .2500      .0171  .0174  .0173  .0087 -.0042      0