Wadsleyite
Holl C M, Smyth J R, Jacobsen S D, Frost D J
American Mineralogist 93 (2008) 598-607
Effects of hydration on the structure and compressibility of wadsleyite, beta-(Mg2SiO4)
Locality: synthetic
Sample: SS0401, 1.66 wt% H2O
_database_code_amcsd 0004543
5.6807 11.5243 8.2515 90 90.090 90 *I2/m
.25 .25 .25
atom         x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
MgM1         0      0      0       .0124  .0137  .0069  .0165 -.0005 -.0007   .0028
MgM2   -.00014    .25 .97051       .0069  .0085  .0047  .0076      0  .0000       0
MgM3a      .25 .12299    .25 .871  .0087  .0067  .0106  .0078      0 -.0005       0
WatM3a     .25 .12299    .25 .129  .0087  .0067  .0106  .0078      0 -.0005       0
MgM3b      .75 .37703    .25 .857  .0093  .0071  .0120  .0086  .0003      0       0
WatM3b     .75 .37703    .25 .129  .0093  .0071  .0120  .0086  .0003      0       0
Si      .00000 .12083 .61574      .00666  .0063  .0065  .0072 .00017  .0000 -.00023
O1       .0002    .25  .2237       .0086  .0068  .0091  .0100      0  .0008       0
O2       .0002    .25  .7163       .0076  .0090  .0070  .0068      0  .0007       0
O3      -.0003 .01245 .74375       .0087  .0088  .0090  .0083 -.0003  .0002   .0005
O4       .2605 .12355 .99419       .0072  .0075  .0056  .0085  .0006  .0002   .0006
O4b      .7389 .37644 .99419       .0074  .0074  .0067  .0080 -.0006  .0011  -.0009