data_global _amcsd_formula_title 'Ca0.22 Mn Nd0.7 O3 Sr0.08' 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 1001738 ; _database_code_amcsd 0013908 _chemical_formula_sum '(Nd.7 Sr.08 Ca.22) Mn O3' _cell_length_a 5.4734 _cell_length_b 7.6583 _cell_length_c 5.4139 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 226.934 _exptl_crystal_density_diffrn 6.431 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nd1 0.03820 0.25000 -0.00700 0.70000 Sr1 0.03820 0.25000 -0.00700 0.08000 Ca1 0.03820 0.25000 -0.00700 0.22000 Mn1 0.00000 0.00000 0.50000 1.00000 O1 0.48560 0.25000 0.07290 1.00000 O2 0.29090 0.03770 0.71500 1.00000