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= 300 K
_database_code_amcsd 0006361
10.141 10.141 14.286 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 1.59  .0187  .0187  .0230  .0094      0      0
NaB1'    1/3    2/3  .2713  .46  1.9   .014   .014   .044   .007      0      0
NaB2'    1/3    2/3  .7713  .05  1.9
MgA      1/3    2/3  .5035  .95  .70  .0079  .0079  .0106  .0040      0      0
FeA      1/3    2/3  .5035 .024  .70  .0079  .0079  .0106  .0040      0      0
MnA      1/3    2/3  .5035  .02  .70  .0079  .0079  .0106  .0040      0      0
TiA      1/3    2/3  .5035 .002  .70  .0079  .0079  .0106  .0040      0      0
MgT2   .4969      0      0  .95  .68  .0108  .0049  .0081  .0024  .0002  .0003
FeT2   .4969      0      0 .024  .68  .0108  .0049  .0081  .0024  .0002  .0003
MnT2   .4969      0      0  .02  .68  .0108  .0049  .0081  .0024  .0002  .0003
TiT2   .4969      0      0 .002  .68  .0108  .0049  .0081  .0024  .0002  .0003
SiT1   .2390  .3535 .64031      .436  .0054  .0060  .0056  .0032  .0008  .0009
SiT11 -.2356 -.3513 .63996       .44
O1     .1427  .3994    .25      1.22   .022  .0178  .0058  .0093      0      0
O11   -.1217 -.3916    .25      1.22
O2     .2147  .2713  .3862      1.13  .0138  .0175  .0174  .0122  .0005  .0004
O22   -.2235 -.2819  .3807      1.13
O3     .1588  .4990  .4204       .76  .0085  .0082  .0115  .0036 -.0009 -.0035
O33   -.1534 -.4959  .4229       .76