American Mineralogist Crystal Structure Database

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Braitschite-(Ce)
Download hom/braitschitece.pdf
Rowland C E, Cahill C L, Post J E
 
American Mineralogist 96 (2011) 197-201
The structure of braitschite, a calcium rare earth borate
Locality: Cane Creek mine near Moab, Utah, USA
_database_code_amcsd 0017877
12.1506 12.1506 7.3678 90 90 120 P6/m
atom     x     y      z  occ Uiso
Ca1  .3147 .3124      0  .86 .011
Na1  .3147 .3124      0  .14 .011
Ca2      0     0     .5      .054
Ce      .5    .5     .5 .370 .013
Y       .5    .5     .5 .072 .013
La      .5    .5     .5 .221 .013
Pr      .5    .5     .5 .048 .013
Nd      .5    .5     .5 .178 .013
Sm      .5    .5     .5 .048 .013
Eu      .5    .5     .5 .019 .013
Gd      .5    .5     .5 .014 .013
Tb      .5    .5     .5 .005 .013
Dy      .5    .5     .5 .014 .013
Ho      .5    .5     .5 .005 .013
Er      .5    .5     .5 .005 .013
B1   .1877 .4115  .3205      .015
B2   .3894 .5808  .1757      .015
O1   .3256 .4818  .3134  .95 .016
OH1  .3256 .4818  .3134  .05 .016
O2   .3690 .5215      0      .015
O3     1/3   2/3  .1848      .013
O4   .5239 .6539  .2199      .017
O5   .1340 .3831     .5      .020
OH6  .1418 .2877  .2110      .024
Wat      0     0      0      .057
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