Sodalite
Ballirano P, Maras A
European Journal of Mineralogy 17 (2005) 805-812
Crystal chemical and structural characterization of an
unusual CO3-bearing sodalite-group mineral
Locality: Mt. Vesuvio, Italy
_database_code_amcsd 0007133
9.0352 9.0352 9.0352 90 90 90 P-43n
atom      x      y      z   occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaM3   .736   .736   .736   .19  .045  .0446  .0446  .0446  .0350  .0350  .0350
KM3    .736   .736   .736  .046  .045  .0446  .0446  .0446  .0350  .0350  .0350
CaM3   .736   .736   .736  .004  .045  .0446  .0446  .0446  .0350  .0350  .0350
NaM2  .6871  .6871  .6871   .47  .029  .0293  .0293  .0293  .0104  .0104  .0104
CaM2  .6871  .6871  .6871   .15  .029  .0293  .0293  .0293  .0104  .0104  .0104
KM1    .659   .659   .659  .129  .022  .0224  .0224  .0224  .0029  .0029  .0029
Si      .25     .5      0       .0094  .0081  .0101  .0101      0      0      0
Al      .25      0     .5       .0096  .0087  .0100  .0100      0      0      0
O1   .14265 .15237 .45424       .0200  .0177  .0183  .0240  .0096  .0016  .0004
S     .4605  .4605  .4605  .096  .036
Cl        0      0      0   .47  .060
C         0      0      0   .15  .060
O2a    .638   .518   .461 .0588   .05
O2b    .373   .408   .470  .032   .05
O2c    .379   .346   .435  .032   .05
O2d    .600   .600   .600  .128   .05