Roedderite
Armbruster T
European Journal of Mineralogy 1 (1989) 715-718
Crystal chemistry of double-ring silicates:
structure of roedderite at 100 and 300 K
T= 100 K
_database_code_amcsd 0006360
10.139 10.139 14.269 90 90 120 P-62c
atom        x       y      z  occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KC          0       0      0  .94  .81  .0100  .0100  .0107   .005      0      0
NaB1'     1/3     2/3  .2723  .46 1.03   .007   .007   .024  .0037      0      0
NaB2'     1/3     2/3  .7723  .05 1.03
MgA       1/3     2/3  .5033  .95 .494  .0056  .0056  .0076  .0028      0      0
FeA       1/3     2/3  .5033 .024 .494  .0056  .0056  .0076  .0028      0      0
MnA       1/3     2/3  .5033  .02 .494  .0056  .0056  .0076  .0028      0      0
TiA       1/3     2/3  .5033 .002 .494  .0056  .0056  .0076  .0028      0      0
MgT2    .4962       0      0  .95  .32  .0057  .0021  .0031  .0011      0  .0001
FeT2    .4962       0      0 .024  .32  .0057  .0021  .0031  .0011      0  .0001
MnT2    .4962       0      0  .02  .32  .0057  .0021  .0031  .0011      0  .0001
TiT2    .4962       0      0 .002  .32  .0057  .0021  .0031  .0011      0  .0001
SiT1   .23912   .3546 .64008      .247  .0034  .0038  .0024  .0019  .0004  .0005
SiT11 -.23555 -.35150 .63974       .25
O1      .1438   .3999    .25       .71   .014  .0094  .0033  .0057      0      0
O11    -.1209  -.3916    .25       .71
O2      .2146   .2704  .3867       .63  .0081  .0097  .0088  .0066      0  .0001
O22    -.2240  -.2828  .3807       .63
O3      .1592   .4992  .4203       .46  .0058  .0056  .0059  .0029 -.0007 -.0019
O33    -.1535  -.4966  .4231       .46