Dumortierite
Moore P B, Araki T
Neues Jahrbuch fur Mineralogie, Abhandlungen 132 (1978) 231-241
Dumortierite, Si3B[Al6.75[]0.25O17.25(OH)0.75]: a detailed structure analysis
Locality: Saharina, Madagascar
_database_code_amcsd 0019939
11.828 20.243 4.7001 90 90 90 Pmcn
atom      x      y     z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
All     .75 .24995 .3953 .75 .00078 .00026 .04312       0       0  .00041
Al2  .61033 .47248 .5584     .00039 .00012 .00236 -.00001       0 -.00004
Al3  .49098 .43097 .0602     .00051 .00014 .00247 -.00001  .00002 -.00002
Al4  .35848 .28895 .0580     .00061 .00020 .00460  .00010 -.00009 -.00019
Si1     .75 .40559 .0875     .00073 .00046 .00412       0       0 -.00002
Si2  .52444 .32817 .5877     .00120 .00030 .00456 -.00011  .00000  .00002
B       .25 .41617 .2256     .00113 .00034 .00298       0       0  .00002
O1      .75 .45385 .3744     .00076 .00042 .00490       0       0 -.00010
O2      .75 .32625 .1513 .75 .00212 .00050 .00802       0       0  .00076
OH2     .75 .32625 .1513 .25 .00212 .00050 .00802       0       0  .00076
O3   .63935 .42436 .8941     .00079 .00035 .00508  .00002  .00002  .00006
O4   .43599 .28250 .3985     .00117 .00027 .00544 -.00007 -.00006  .00010
O5   .55011 .39346 .3932     .00103 .00026 .00494 -.00006 -.00012  .00010
O6   .45414 .35017 .8792     .00121 .00029 .00557 -.00012 -.00003 -.00018
O7   .63922 .28679 .6502 .75 .00174 .00058 .00885  .00012 -.00077  .00044
OH7  .63922 .28679 .6502 .25 .00174 .00058 .00885  .00012 -.00077  .00044
O8      .25 .35087 .1643     .00089 .00032 .00824       0       0 -.00034
O9   .35086 .44798 .2543     .00104 .00031 .00474  .00000  .00025 -.00034
O10     .25 .27218 .7610     .00115 .00055 .00322       0       0 -.00017
O11  .46651 .48802   .75     .00086 .00027 .00219  .00000 -.00007 -.00002