data_global _amcsd_formula_title 'Cu Nd O3.56 Sr' loop_ _publ_author_name 'Labbe P' 'Ledesert M' 'Caignaert V' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 91 _journal_year 1991 _journal_page_first 362 _journal_page_last 369 _publ_section_title ; Structural peculiarities of two layered cuprates, NdSrCuO3.5 and Nd1.8Sr1.2Cu2O6-delta _cod_database_code 1001479 ; _database_code_amcsd 0013710 _chemical_formula_sum '(Nd Sr) Cu O3.56' _cell_length_a 3.7431 _cell_length_b 3.7431 _cell_length_c 12.839 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 179.885 _exptl_crystal_density_diffrn 6.505 _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 Nd1 0.00000 0.00000 0.35812 0.50000 Sr1 0.00000 0.00000 0.35812 0.50000 Cu1 0.00000 0.00000 0.00000 1.00000 O1 0.00000 0.50000 0.00000 0.86000 O2 0.00000 0.00000 0.17200 0.92000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Nd1 0.01630 0.01630 0.01290 0.00000 0.00000 0.00000 Sr1 0.01630 0.01630 0.01290 0.00000 0.00000 0.00000 Cu1 0.01120 0.01120 0.00860 0.00000 0.00000 0.00000 O1 0.06000 0.00700 0.03200 0.00000 0.00000 0.00000 O2 0.03700 0.03700 0.03500 0.00000 0.00000 0.00000