American Mineralogist Crystal Structure Database

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Pyroxene-ideal
 
Thompson R M, Downs R T
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model low clinopx, closest-packed, ABABCACABCBC, with
O3A-O3A-O3A angle = 240, O3B-O3B-O3B angle = 120, and model oxygen radius = 1
_database_code_amcsd 0003508
6.928 6 3.464 90 109.47 90 P2_1/c
atom     x      y      z
Mg     .25    2/3    1/6
Mg     .25      0    1/6
SiA   1/16    1/3    3/8
SiB   9/16    5/6   5/24
O1A    7/8    1/3    1/4
O2A    1/8    1/2    1/4
O3A    1/8    1/3    3/4
O1B    3/8    5/6   1/12
O2B    5/8      0   5/12
O3B    5/8    2/3   5/12
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