Ba2 Cu1.16 Hg0.84 O4.19 Pelloquin D, Hardy V, Maignan A, Raveau B Physica C 273 (1997) 205-212 Single crystals of the 96 K superconductor (Hg, Cu) Ba2 Cu O4+d: growth, structure and magnetism _cod_database_code 1001764 _database_code_amcsd 0015080 3.8845 3.8845 9.5237 90 90 90 P4/mmm atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Hg1 0 0 0 .84 .0126 .0126 .0041 0 0 0 Cu1 0 0 .044 .08 .002 .002 .000 0 0 0 Ba1 .5 .5 .2989 .0063 .0063 .0176 0 0 0 Cu2 0 0 .5 .003 .003 .021 0 0 0 O1 .5 0 .5 O2 0 0 .207 .93 O3 .5 .5 0 .05 O4 .5 0 .10 .07