Schullerite
Rastsvetaeva R K, Aksenov S, Chukanov N
Doklady Chemistry 437 (2011) 90-94
Crystal structure of schullerite,
a new mineral of the heterophyllosilicate family
Locality: the Eifel volcanic area, Germany
_database_code_amcsd 0019755
5.4027 7.0656 10.2178 99.816 99.624 90.085 P1
atom       x     y     z occ Biso
BaA1   .9902 .5840 .6000  .6  .87
SrA1   .9902 .5840 .6000  .3  .87
KA1    .9902 .5840 .6000  .1  .87
BaA2   .5334 .1159 .7333     1.21
TiM1   .9445 .0496 .4575  .7  .88
NbM1   .9445 .0496 .4575  .2  .88
Fe3+M1 .9445 .0496 .4575  .1  .88
TiM2   .5776 .6496 .8758  .6  .56
AlM2   .5776 .6496 .8758  .2  .56
MgM2   .5776 .6496 .8758  .2  .56
NaM3   .5191 .9742 .1617      .97
MnM4   .0185 .7230 .1652  .5 1.15
CaM4   .0185 .7230 .1652  .4 1.15
NaM4   .0185 .7230 .1652  .1 1.15
Fe3+M5 .5400 .4658 .1622 .55 1.50
MgM5   .5400 .4658 .1622 .45 1.50
Fe2+M6 .0146 .2262 .1673  .6 1.12
MgM6   .0146 .2262 .1673 .25 1.12
Fe3+M6 .0146 .2262 .1673 .15 1.12
Si1    .4383 .3189 .4426      .74
Si2    .0840 .3777 .8935      .92
Si3    .0818 .9337 .8947      .80
Si4    .4427 .7687 .4402      .89
O1     .7101 .8723 .5103      .80
O2     .8171 .4513 .8228      .96
O3      .814  .826 .8238      1.7
O4      .708 .2511 .5098      1.4
O5     .3106 .8282 .8260      .78
O6      .216  .871 .5051      1.8
O7     .4587 .5568 .4916     1.14
O8      .065 .1422 .8359      1.6
O9     .3096 .4482 .8208     1.04
O10     .215 .2505 .5106     1.34
O11     .145  .438 .0522      1.8
O12     .632  .685 .0503      1.8
O13     .396  .727 .2796      2.2
O14     .132  .950 .0548      1.9
O15     .381  .273 .2792      2.3
O16     .885  .020 .2803      2.4
O17     .878  .480 .2805     2.02
F       .654  .212 .0558      2.8