American Mineralogist Crystal Structure Database

1 matching records for this search.

Oxy-schorl
 
Bacik P, Cempirek J, Uher P, Novak M, Ozdin D, Filip J,
Skoda R, Breiter K, Klementova M, Duda R, Groat L A
American Mineralogist 98 (2013) 485-492
Oxy-schorl, Na(Fe2+2Al)Al6Si6O18(BO3)3(OH)3O, a new mineral from
Zlata Idka, Slovak Republic and Pribyslavice, Czech Republic
Locality: Zlata Idka, Slovak Republic
_database_code_amcsd 0019853
15.916 15.916 7.1071 90 90 120 R3m
atom      x       y      z   occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
Na        0       0  .0825  .591 .0229  .0223  .0223   .024  .0111      0       0
Ca        0       0  .0825  .103 .0229  .0223  .0223   .024  .0111      0       0
AlY  .12237  .06118 .50346 .6283 .0119  .0113  .0098  .0151  .0057 -.0019 -.00095
FeY  .12237  .06118 .50346 .3693 .0119  .0113  .0098  .0151  .0057 -.0019 -.00095
MnY  .12237  .06118 .50346 .0017 .0119  .0113  .0098  .0151  .0057 -.0019 -.00095
TiY  .12237  .06118 .50346 .0007 .0119  .0113  .0098  .0151  .0057 -.0019 -.00095
AlZ  .29700  .36937 .14311 .9047 .0104  .0113  .0109  .0098  .0060  .0001  -.0004
MgZ  .29700  .36937 .14311 .0953 .0104  .0113  .0109  .0098  .0060  .0001  -.0004
Si   .19214  .19002 .86941 .9177 .0080  .0081  .0082  .0076  .0041 -.0002  -.0008
Al   .19214  .19002 .86941 .0823 .0080  .0081  .0082  .0076  .0041 -.0002  -.0008
B    .10971   .2194  .3182       .0142  .0172   .015  .0094  .0077 -.0002  -.0004
O1        0       0  .6394       .0269  .0314  .0314   .018  .0157      0    .000
O2   .06060   .1212  .3556       .0210  .0251  .0147  .0197  .0073  .0001   .0002
O3    .2620  .13101  .3745       .0189  .0291  .0171  .0144  .0146  .0005   .0003
O4    .1869  .09346  .9640       .0198  .0243  .0168  .0208  .0121 -.0001       0
O5   -.1883 -.09417 -.0580       .0192  .0250  .0188  .0160  .0125  .0018   .0009
O6   .19549  .18438  .6403       .0150  .0165  .0169  .0111  .0080  .0012   .0008
O7   .28759  .28731  .9447       .0142  .0135  .0138  .0133  .0053  .0002  -.0003
O8   .20909  .26975  .3046       .0145  .0136  .0152  .0153  .0075 -.0001   .0018
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