data_global _amcsd_formula_title 'Ba0.15 Ca Cu2 La1.85 O6' loop_ _publ_author_name 'Navarro J' 'Fuertes A' 'Gomez-Romero P' 'Rodriguez-Carjaval J' _journal_name_full 'Solid State Communications' _journal_volume 81 _journal_year 1992 _journal_page_first 677 _journal_page_last 681 _publ_section_title ; Crystal structure of La1.85 Ba0.15 Ca Cu2 O6+y determined by neutron powder diffraction _cod_database_code 1006109 ; _database_code_amcsd 0015486 _chemical_formula_sum 'Ca.99 La1.86 Ba.15 Cu2 O6.04' _cell_length_a 3.82737 _cell_length_b 3.82737 _cell_length_c 19.4655 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 285.145 _exptl_crystal_density_diffrn 6.317 _symmetry_space_group_name_H-M 'I 4/m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-y,-x,z' '1/2-y,1/2-x,1/2+z' 'y,x,-z' '1/2+y,1/2+x,1/2-z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-y,x,z' '1/2-y,1/2+x,1/2+z' 'x,-y,z' '1/2+x,1/2-y,1/2+z' '-x,y,-z' '1/2-x,1/2+y,1/2-z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' 'y,x,z' '1/2+y,1/2+x,1/2+z' '-y,-x,-z' '1/2-y,1/2-x,1/2-z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' 'y,-x,z' '1/2+y,1/2-x,1/2+z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca1 0.00000 0.00000 0.00000 0.76000 La1 0.00000 0.00000 0.00000 0.24000 La2 0.00000 0.00000 0.17560 0.81000 Ca2 0.00000 0.00000 0.17560 0.11500 Ba1 0.00000 0.00000 0.17560 0.07500 Cu1 0.00000 0.00000 0.58510 1.00000 O1 0.00000 0.50000 0.08200 1.00000 O2 0.00000 0.00000 0.70340 1.00000 O3 0.00000 0.00000 0.50000 0.04000