Magnesiochloritoid
Comodi P, Mellini M, Zanazzi P F
Physics and Chemistry of Minerals 18 (1992) 483-490
Magnesiochloritoid: compressibility and high
pressure structure refinement
Sample: WRS (whole reciprocal space), P = 0.001 kbar
_database_code_amcsd 0007686
9.434 5.452 18.136 90 101.42 90 C2/c
atom     x     y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al1A   .25   .25      0            .0041  .0049  .0054 -.0001  .0009  .0001
Al2A     0 .4026    .25            .0033  .0042  .0054      0  .0014      0
Mg1B .0840 .7459  .0009 .65        .0046  .0060  .0098 -.0004  .0015 -.0006
Fe1B .0840 .7459  .0009 .35        .0046  .0060  .0098 -.0004  .0015 -.0006
Al2B .2500 .6537  .2489            .0036  .0034  .0056 -.0006  .0009 -.0003
Si   .4640 .4029  .1559            .0028  .0032  .0032 -.0001  .0002  .0001
O1A  .1148 .3923  .0530            .0069  .0094  .0051  .0002  .0016 -.0008
O1B  .2646 .9450  .0501            .0081  .0064  .0043 -.0008  .0005  .0002
O1C  .4267 .3979  .0639            .0061  .0073  .0038 -.0008  .0002 -.0001
O2A  .3944 .1592  .1881            .0038  .0044  .0058  .0000  .0012  .0003
O2B  .3949 .6481  .1872            .0040  .0039  .0063  .0005  .0014 -.0002
O2C  .1392 .9036  .1869            .0037  .0040  .0062  .0000  .0003  .0003
O2D  .1485 .4019  .2017            .0031  .0040  .0043 -.0005  .0005 -.0001
H1A  .1309 .3851  .1016     .0388
H1B  .2154 .5492 -.0954     .0329