Chlormayenite
Boysen H, Lerch M, Stys A, Senyshyn A
Acta Crystallographica B63 (2007) 675-682
Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature
neutron powder diffraction study
Locality: synthetic
Sample: T = 293 K
_database_code_amcsd 0009964
11.9794 11.9794 11.9794 90 90 90 I-43d
atom       x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .1432       0     .25 .875 .0172   .032  .0082  .0111      0      0  .0010
Ca'    .1867       0     .25 .125  .019
Al1   .01880  .01880  .01880      .0091  .0091  .0091  .0091 -.0003 -.0003 -.0003
Al2     .875       0     .25      .0071   .003  .0090  .0090      0      0      0
O1    .78672  .09946  .30708      .0138  .0144  .0146  .0123  .0077  .0041  .0011
O2   -.06481 -.06481 -.06481      .0151  .0151  .0151  .0151 -.0023 -.0023 -.0023
O3      .375       0     .25 .251  .036