Dumortierite
Groat L A, Evans R J, Grew E S, Pieczka A
The Canadian Mineralogist 50 (2012) 855-872
The crystal chemistry of As- and Sb-bearing dumortierite
Sample: D67
Locality: the Larsemann Hills, Prydz Bay, Princess Elizabeth Land, East Antarctica
_database_code_amcsd 0019562
4.6995 11.7790 20.1671 90 90 90 Pnma
atom      x      y       z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
AlA    .348    .75  .24931   .30 .00642
Al1    .413    .75  .25011   .42 .00642
AlB    .465    .75   .2507   .12 .00642
Al2  .55801 .61028 .472362 .9926 .00453 .00453 .00417 .00487 -.00018 -.00027 -.00015
Al3  .05978 .49104 .430841 .9900 .00445 .00417 .00471 .00447  .00005 -.00011 -.00012
Al4  .05696 .35809 .288563 .9924 .00589 .00629 .00564 .00574 -.00009 -.00049  .00120
Si1  .08747    .75 .404975       .00563 .00451 .00412 .00825       0 -.00026       0
Si2  .58740 .52501 .327921       .00561 .00504 .00663 .00515  .00005  .00006 -.00083
B     .2254    .25  .41616        .0056  .0053  .0059  .0057       0  -.0001       0
O1   .37688    .75  .45354       .00582  .0051  .0042  .0082       0  -.0013       0
O2    .1477    .75  .32501       .01066  .0111  .0129  .0080       0   .0015       0
O3   .89586 .63937  .42397       .00550  .0047  .0044  .0074  -.0003   .0003  -.0002
O4   .39912 .43669  .28250       .00579  .0051  .0067  .0056   .0000   .0002  -.0009
O5   .39527 .55070  .39328       .00553  .0052  .0064  .0050  -.0008  .00001  -.0009
O6   .88086 .45479  .34985       .00631  .0057  .0075  .0057   .0009  -.0005  -.0016
O7   .64639 .64080  .28635       .01080  .0122  .0085  .0117  -.0012   .0011   .0020
O8    .1605    .25  .35081       .00717  .0128  .0044  .0044       0  -.0024       0
O9   .25519 .35121  .44821       .00622  .0083  .0044  .0059   .0006  -.0018  -.0007
O10  .76073    .25  .27190       .00696  .0059  .0057  .0093       0  -.0006       0
O11  .75038 .46621  .48795       .00459  .0044  .0044  .0050  -.0001  -.0001  -.0001