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 = 973 K
_database_code_amcsd 0009965
12.0308 12.0308 12.0308 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     .1464       0     .25 .910 .0342   .041   .035   .027      0      0  .0004
Ca'     .195       0     .25 .090  .016
Al1    .0176   .0176   .0176      .0183  .0183  .0183  .0183 -.0007 -.0007 -.0007
Al2     .875       0     .25      .0141   .005  .0187  .0187      0      0      0
O1    .78685  .10030  .30637      .0291  .0334  .0268  .0270  .0194  .0131  .0041
O2   -.06453 -.06453 -.06453      .0301  .0301  .0301  .0301 -.0102 -.0102 -.0102
O3       .25    .375       0 .181  .038