Lawsonite
Libowitzky E, Armbruster T
American Mineralogist 80 (1995) 1277-1285
Low-temperature phase transitions and the role of hydrogen bonds in lawsonite
Sample: T = 500 K
_database_code_amcsd 0001768
5.857 8.810 13.150 90 90 90 Cmcm
atom      x      y      z  Biso
Ca        0 .33317    .25 1.176
Al      .25    .25      0  .568
Si        0 .98025 .13294  .525
O1        0  .0485    .25   .99
O2   .27290 .37930 .11678  .860
O3        0 .13750 .06561  .738
O4        0 .63971 .04781  .900
O5        0  .6103    .25  2.47
Hw        0   .659   .198   3.6
Hh        0   .565   .045   7.7