American Mineralogist Crystal Structure Database

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Johntomaite
Download hom/johntomaite.pdf
Kolitsch U, Pring A, Tiekink E R T
 
Mineralogy and Petrology 70 (2000) 1-14
Johntomaite, a new member of the bjarebyite group of barium phosphates:
description and structure refinement
Locality: Spring Creek copper mine, southern Flinders Ranges, South Australia
_database_code_amcsd 0014643
9.200 12.369 5.003 90 100.21 90 P2_1/m
atom      x       y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba   .54487     .75 .73958     .0117  .0096  .0163  .0093      0  .0021      0
Fe1   .2972 -.10945  .2086 .85 .0114  .0090  .0123  .0128  .0008  .0022 .00013
Ca    .2972 -.10945  .2086 .15 .0114  .0090  .0123  .0128  .0008  .0022 .00013
Fe2  .09465  .39959  .1362     .0085  .0081  .0106  .0074 -.0000  .0026 -.0001
P1    .1602     .75  .6809     .0076  .0064  .0122  .0046      0  .0020      0
P2    .3380  .44172  .7117     .0080  .0073  .0121  .0048  .0004  .0012  .0004
O1    .2755     .75   .941      .022
O2    .2400     .75   .438     .0095
O3    .0626   .6490  .6742     .0131
O4    .3715   .5529  .6110     .0148
O5    .2679   .4551  .9745     .0137
O6    .2306   .3816  .4913     .0148
O7    .4744   .3702  .7900     .0119
OH8   .1334     .25   .001      .013
OH9   .0622   .5603  .1930     .0097
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