Enstatite
Yang H, Ghose S
Physics and Chemistry of Minerals 22 (1995) 300-310
High temperature single crystal X-ray diffraction studies
of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K
Sample: T = 900 K
_database_code_amcsd 0007920
18.341 8.889 5.219 90 90 90 Pbca
atom     x     y      z  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1  .3754 .6521  .8731 1.257  .0010  .0043  .0095 -.0001 -.0004  .0000
Mg2  .3766 .4872  .3664 1.756  .0015  .0059  .0128 -.0003  .0011  .0009
SiA  .2719 .3409  .0552  .879  .0006  .0031  .0073 -.0002  .0000 -.0003
SiB  .4743 .3377  .7936  .878  .0006  .0032  .0075  .0001 -.0002  .0000
O1A  .1839 .3395  .0427 1.208  .0007  .0049  .0108  .0001  .0001  .0005
O1B  .5629 .3411  .7955 1.197  .0006  .0053  .0105  .0001  .0000  .0002
O2A  .3111 .5001  .0527 1.495  .0012  .0040  .0143 -.0007 -.0001  .0012
O2B  .4333 .4838  .6939 1.523  .0013  .0046  .0130  .0007 -.0003  .0015
O3A  .3028 .2258 -.1680 1.476  .0010  .0060  .0106  .0002 -.0001 -.0030
O3B  .4485 .1998  .5956 1.426  .0011  .0055  .0099 -.0003 -.0001 -.0029