Ca3.8 Cl3.84 Cu3 Gd2.2 O8.16
Pelloquin D, Sundaresan A, Hervieu M, Michel C, Raveau B
Journal of Solid State Chemistry 127 (1996) 315-324
New copper oxychlorides Ca4 Ln2 Cu3 O8 Cl4, first members of the
intergrowth series (Ca2 Cu O2 Cl2)m (Ln2 Ca2 Cu2 O6 Cl2)n (Ln = Gd,Sm)
_cod_database_code 1001747
_database_code_amcsd 0013912
3.8865 3.8865 41.827 90 90 90 I4/mmm
atom x  y     z occ
Ca1  0  0 .4611 .90
Gd1  0  0 .4611 .10
Ca2  0  0 .1428
Gd2  0  0 .2219
Cu1  0  0     0
Cu2  0  0 .3221
O1   0 .5     0
O2   0 .5  .319
O3   0 .5   .25
Cl1  0  0 .0644
Cl2  0  0 .3824 .92
O4   0  0 .3824 .08