Diaboleite Cooper M A, Hawthorne F C The Canadian Mineralogist 33 (1995) 1125-1129 Diaboleite, Pb2Cu(OH)4Cl2, a defect perovskite structure with stereoactive lone-pair behavior of Pb _database_code_amcsd 0005469 5.880 5.880 5.500 90 90 90 P4mm atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Pb .5 0 .7298 .0100 .0152 .0165 0 0 0 Cu 0 0 .0282 .0092 .0092 .0157 0 0 0 Cl1 0 0 .492 .0234 .0234 .0146 0 0 0 Cl2 .5 .5 .420 .0287 .0287 .0193 0 0 0 O .2336 .2336 .966 .0120 .0120 .0226 -.0016 -.0009 -.0009 H .291 .291 .122 .0100