data_global _amcsd_formula_title 'Ca0.3 Mn Nd0.7 O3' loop_ _publ_author_name 'Millange F' 'Caignaert V' 'Mather G' 'Suard E' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 127 _journal_year 1996 _journal_page_first 131 _journal_page_last 135 _publ_section_title ; Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7Ca0.3-xSrxMnO3: evidence for a new type of charge ordering _cod_database_code 1001739 ; _database_code_amcsd 0013909 _chemical_formula_sum '(Nd.7 Ca.3) Mn O3' _cell_length_a 5.4881 _cell_length_b 7.6337 _cell_length_c 5.3968 _cell_angle_alpha 90 _cell_angle_beta 90.2 _cell_angle_gamma 90 _cell_volume 226.095 _exptl_crystal_density_diffrn 6.343 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nd1 0.04210 0.25000 -0.00840 0.70000 Ca1 0.04210 0.25000 -0.00840 0.30000 Nd2 0.54410 0.25000 0.50670 0.70000 Ca2 0.54410 0.25000 0.50670 0.30000 Mn1 0.00000 0.00000 0.50000 1.00000 Mn2 0.50000 0.00000 0.00000 1.00000 O1 0.48370 0.25000 0.07560 1.00000 O2 0.98390 0.25000 0.42400 1.00000 O3 0.29180 0.04120 0.70910 1.00000 O4 0.79670 0.03800 0.78200 1.00000