Gehlenite
Louisnathan S J
The Canadian Mineralogist 10 (1971) 822-837
Refinement of the crystal structure of a natural gehlenite, Ca2Al(Al,Si)2O7
Locality: Crestmore, California, USA
_database_code_amcsd 0005090
7.716 7.716 5.089 90 90 90 P-42_1m
atom      x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca    .3375 .1625 .5110      .0057  .0057  .0243  .0015 -.0013  .0013
AlT1      0     0     0 .93  .0028  .0028  .0168      0      0      0
MgT1      0     0     0 .05  .0028  .0028  .0168      0      0      0
FeT1      0     0     0 .02  .0028  .0028  .0168      0      0      0
AlT   .1431 .3569 .9528 .49  .0027  .0027  .0137  .0006 -.0008  .0008
SiT   .1431 .3569 .9528 .51  .0027  .0027  .0137  .0006 -.0008  .0008
O1       .5     0 .1884      .0099  .0099  .0132  .0023      0      0
O2    .1418 .3582 .2832      .0061  .0061  .0211 -.0009 -.0005  .0005
O3    .0872 .1706 .8033      .0075  .0056  .0215  .0021 -.0007 -.0024