American Mineralogist Crystal Structure Database

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Pigeonite
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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 = 4.5 GPa
_database_code_amcsd 0003199
9.523 8.700 5.136 90 107.80 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 .0204 .2179 .85  1.2  .0150  .0158  .0106  .0020 -.0012  .0052
CaM2 .2562 .0204 .2179 .15  1.2  .0150  .0158  .0106  .0020 -.0012  .0052
MgM1 .2514 .6559 .2192      .63
SiTA .0416 .3424 .2866      .54
SiTB .5516 .8381 .2289      .57
O1A   .865 .3401  .182      .79
O2A  .1194 .5051  .318      .63
O3A  .1076 .2756  .603      .87
O1B  .3752 .8389  .124      .71
O2B  .6321 .9871  .383     1.03
O3B  .6086 .6961  .455      .87
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