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 = 1223 K
_database_code_amcsd 0009966
12.0449 12.0449 12.0449 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     .1452       0     .25 .942 .0410   .054   .039   .030      0      0 -.0002
Ca'     .211       0     .25 .058  .017
Al1    .0185   .0185   .0185      .0200  .0200  .0200  .0200 -.0024 -.0024 -.0024
Al2     .875       0     .25      .0219   .018  .0241  .0241      0      0      0
O1    .78787  .10043  .30624      .0363  .0400  .0332  .0357  .0239  .0146  .0037
O2   -.06386 -.06386 -.06386      .0375  .0375  .0375  .0375 -.0109 -.0109 -.0109
O3      .375       0     .25 .116   .14