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 = 1323 K
_database_code_amcsd 0009967
12.0585 12.0585 12.0585 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     .1456       0     .25 .926  .047   .066   .041   .034      0      0   .000
Ca'     .212       0     .25 .074   .05
Al1    .0183   .0183   .0183      .0253  .0253  .0253  .0253 -.0035 -.0035 -.0035
Al2     .875       0     .25      .0199   .014  .0231  .0231      0      0      0
O1    .78779  .10087  .30547      .0430  .0514  .0398  .0379  .0291  .0149  .0031
O2   -.06399 -.06399 -.06399      .0428  .0428  .0428  .0428 -.0119 -.0119 -.0119
O3      .375       0     .25  .15   .28