Melanothallite
Krivovichev S V, Filatov S K, Burns P C
The Canadian Mineralogist 40 (2002) 1185-1190
The cuprite-like framework of OCu4 tetrahedra in the crystal structure
of synthetic melanothallite, Cu2OCl2, and its negative thermal expansion
Locality: synthetic
_database_code_amcsd 0005787
7.4691 9.5969 9.700 90 90 90 *Fddd
.125 .125 .125
atom   x   y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu     0   0    1/2 .0140  .0179  .0130  .0110 -.0026 -.0008 -.0006
Cl   1/8 1/8 .32431 .0213  .0289  .0220  .0131 -.0087      0      0
O    1/8 1/8    5/8 .0127  .0167  .0119  .0094      0      0      0