Acetylene-hydrate
Kirchner M T, Boese R, Billups W E, Norman L R
Journal of the American Chemical Society 126 (2004) 9407-9412
Gas hydrate single-crystal structure analyses
Sample: (C2H2)7.2(H2O)46, T = 143 K
Locality: synthetic
_database_code_amcsd 0019156
11.895 11.895 11.895 90 90 90 Pm3n
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O1        0 .30797 .11699      .0358  .0355  .0359  .0359      0      0 -.0001
H1        0   .322   .043  .50  .054
H2     .056   .274   .146  .50  .054
H3        0   .367   .154  .50  .054
O2   .18388 .18388 .18388      .0359  .0359  .0359  .0359  .0001  .0001  .0001
H4     .223   .223   .223  .50  .054
H5     .160   .126   .220  .50  .054
O3        0     .5    .25      .0364  .0367  .0367   .036      0      0      0
H6        0   .441   .201  .50  .055
C1        0      0  .0521  .08  .050
C2        0  .0335  .0400 .059  .050
C3     .259  .4512      0  .42  .096    .07   .093   .129   .041      0      0
C4    .2982     .5      0  .30   .23    .05    .42    .21      0      0      0