Cronstedtite
Hybler J
European Journal of Mineralogy 18 (2006) 197-205
Parallel intergrowths in cronstedtite-1T:
determination of the degree of disorder
Locality: Herja, Romania
Sample: HER
Note: 1T polytype
_database_code_amcsd 0007145
5.494 5.494 7.090 90 90 120 P31m
atom     x   y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
FeM1 .6653   0    .5      .0091  .0071  .0072  .0130  .0036  .0001      0
SiT1   1/3 2/3 .1020 .685 .0104  .0107  .0107  .0098  .0053      0      0
FeT1   1/3 2/3 .1020 .315 .0104  .0107  .0107  .0098  .0053      0      0
O1   .4432   0 .0234      .0331   .042   .036   .020  .0182 -.0007      0
Oh1      0   0 .3510       .013   .014   .014   .011  .0071      0      0
Oh2  .3318   0 .6391      .0125   .014   .014   .009  .0071  .0001      0
O4     1/3 2/3 .3458      .0137   .014   .014   .014  .0068      0      0
H1       0   0  .223       .038
H2    .348   0  .745       .038