American Mineralogist Crystal Structure Database

2 matching records for this search.

Phase-B-anhydrous
 
Finger L W, Hazen R M, Prewitt C T
Download am/vol76/AM76_1.pdf
American Mineralogist 76 (1991) 1-7
Crystal structures of Mg12Si4O19(OH)2 (phase B) and Mg14Si5O24 (phase AnhB)
_database_code_amcsd 0001340
5.868 14.178 10.048 90 90 90 Pmcb
atom      x      y      z Biso
Si1       0      0      0 0.33
Si2      .5 .31141 .17445 0.35
Si3       0 .37524 .99754 0.34
Mg1      .5      0     .5 0.47
Mg2      .5 .17460 .35469 0.46
Mg3      .5      0      0 0.48
Mg4  .24050 .00241 .25354 0.44
Mg5       0 .17612 .82058 0.48
Mg6  .24396 .16958 .08108 0.46
O1        0 .91394 .34705 0.47
O2        0 .57564 .35375 0.37
O3        0 .24165 .49605 0.45
O4       .5 .08599 .17186 0.44
O5       .5 .42488 .16958 0.42
O6       .5 .76001 .47153 0.44
O7    .2342 .08741 .42136 0.45
O8    .2147 .42653 .42534 0.47
O9    .2824 .76221 .25276 0.48
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View JMOL 3-D Structure (permalink)
 
Phase-B-anhydrous
 
Hazen R M, Finger L W, Ko J
Download am/vol77/AM77_217.pdf
American Mineralogist 77 (1992) 217-220
Crystal chemistry of Fe-bearing anhydrous phase B: Implications for transition
zone mineralogy
_database_code_amcsd 0001445
5.908 14.241 10.069 90 90 90 Pmcb
atom     x      y      z  occ Biso
Si1      0      0      0       .40
Si2     .5  .3117 .17584       .40
Si3      0 .37466 .99769       .36
Mg1     .5      0     .5 .881  .62
Fe1     .5      0     .5 .119  .62
Mg2     .5 .17325 .35657 .910  .63
Fe2     .5 .17325 .35657 .080  .63
Mg3     .5      0      0 .591  .53
Fe3     .5      0      0 .409  .53
Mg4 .24024 .00208 .25556 .925  .51
Fe4 .24024 .00208 .25556 .075  .51
Mg5      0 .17678 .82023 .912  .52
Fe5      0 .17678 .82023 .088  .52
Mg6 .24384 .16952 .08159 .887  .50
Fe6 .24384 .16952 .08159 .113  .50
O1       0  .9136  .3471       .46
O2       0  .5752  .3541       .50
O3       0  .2419  .4960       .51
O4      .5  .0863  .1738       .54
O5      .5  .4248  .1700       .49
O6      .5  .7605  .4706       .56
O7   .2323  .0881  .4207       .63
O8   .2121  .4267  .4253       .47
O9   .2834  .7622  .2521       .50
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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