Bassanite
Abriel W, Nesper R
Zeitschrift fur Kristallographie 205 (1993) 99-113
Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit
Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen
Locality: synthetic
_database_code_amcsd 0019827
12.0275 6.9312 12.6919 90 90.18 90 I2
atom     x     y     z
Ca1      0 .4553     0
Ca2      0 .4553    .5
Ca3  .2724 .2724 .1667
Ca4  .7276 .2724 .3333
S1   .7248 .2752 .0833
S2       0 .4496   .25
S3   .2752 .2752 .4167
O1   .1291  .726 .0173
O2   .1291  .726 .5173
O3   .2985 .4435 .8507
O4   .2985 .4435 .3507
O5   .0725 .3306  .184
O6   .0725 .3306  .684
O7   .2538 .6185 .1556
O8   .2538 .6185 .6556
O9   .1824 .3102 .9889
O10  .1824 .3102 .4889
O11  .0639 .5714 .8222
O12  .0639 .5714 .3222
Ow1     .5 .5985     0
Ow2  .5493 .4508 .3333
H1    .428  .671     0
H2     .55  .307  .333
H3    .621  .523  .333