Pigeonite
Nestola F, Tribaudino M, Ballaran T B
American Mineralogist 89 (2004) 189-196
High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite
Sample: P = 2.6 GPa
_database_code_amcsd 0003198
9.546 8.732 5.149 90 108.12 90 P2_1/c
atom     x     y     z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgM2 .2562 .0196 .2202 .85  1.1  .0117  .0192  .0110  .0062  .0053  .0040
CaM2 .2562 .0196 .2202 .15  1.1  .0117  .0192  .0110  .0062  .0053  .0040
MgM1 .2504 .6552 .2216      .75
SiTA .0422 .3415 .2862      .66
SiTB .5520 .8387 .2281      .72
O1A  .8656 .3394  .182      .79
O2A  .1206 .5034  .319       .7
O3A  .1054 .2748  .600      1.0
O1B  .3735 .8383 .1265       .8
O2B  .6293 .9861  .382      1.3
O3B  .6062 .6986  .458       .9