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: Pribyslavice, Czech Republic
_database_code_amcsd 0019854
15.9853 15.9853 7.1538 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)
NaX       0       0   .9019  .586  .0266  .0267  .0267  .0263  .0134       0       0
CaX       0       0   .9019  .017  .0266  .0267  .0267  .0263  .0134       0       0
KX        0       0   .9019  .006  .0266  .0267  .0267  .0263  .0134       0       0
FeY  .87496 .937481  .50264 .6263 .00869  .0087 .00611  .0121 .00433 -.00216 -.00108
MnY  .87496 .937481  .50264  .005 .00869  .0087 .00611  .0121 .00433 -.00216 -.00108
AlY  .87496 .937481  .50264 .3377 .00869  .0087 .00611  .0121 .00433 -.00216 -.00108
TiY  .87496 .937481  .50264  .031 .00869  .0087 .00611  .0121 .00433 -.00216 -.00108
AlZ  .70355  .63191 -.14783 .9553 .00590  .0062  .0058  .0058 .00309  .00034 -.00008
MgZ  .70355  .63191 -.14783 .0317 .00590  .0062  .0058  .0058 .00309  .00034 -.00008
FeZ  .70355  .63191 -.14783  .013 .00590  .0062  .0058  .0058 .00309  .00034 -.00008
SiT  .80806  .81008  .12963 .9907 .00569  .0054 .00520  .0064 .00266 -.00021 -.00044
AlT  .80806  .81008  .12963 .0093 .00569  .0054 .00520  .0064 .00266 -.00021 -.00044
B    .88991  .77981   .6753        .0076  .0077  .0074  .0074  .0037   .0000   .0000
O1        0       0   .3485  .579  .0363  .0494  .0494  .0102  .0247       0       0
F         0       0   .3485  .307  .0363  .0494  .0494  .0102  .0247       0       0
OH        0       0   .3485  .115  .0363  .0494  .0494  .0102  .0247       0       0
O2   .93822  .87643   .6435        .0151  .0207  .0069  .0132  .0035   .0004   .0008
O3   .73144  .86572   .6201        .0123  .0213  .0123  .0063  .0107   .0007   .0004
O4   .81267  .90634   .0387        .0103  .0145  .0074  .0114  .0072   .0011   .0006
O5   .18631  .09316   .0618        .0104  .0149  .0082  .0105  .0075   .0012   .0006
O6   .80182  .81238  .35415        .0089  .0090  .0103  .0070  .0047  -.0003  -.0009
O7   .71481  .71419  .05039        .0086  .0088  .0068  .0082  .0024  -.0009  -.0008
O8   .79017  .72936 -.31139        .0097  .0075  .0115  .0111  .0054   .0010   .0021
H3     .735   .8677    .732         .21