data_global _chemical_name_mineral 'Megawite' loop_ _publ_author_name 'Zhao J' 'Ross N L' 'Angel R J' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 31 _journal_year 2004 _journal_page_first 299 _journal_page_last 305 _publ_section_title ; Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 5.18 GPa ; _database_code_amcsd 0018610 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca Sn O3' _cell_length_a 5.4538 _cell_length_b 5.6162 _cell_length_c 7.8006 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 238.930 _exptl_crystal_density_diffrn 5.749 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+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_U_iso_or_equiv Ca -0.01276 0.05200 0.25000 0.00651 Sn 0.00000 0.50000 0.50000 0.00344 O1 0.10060 0.46430 0.25000 0.00621 O2 0.69570 0.30070 0.05240 0.00570 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 Ca 0.00648 0.00655 0.00644 -0.00158 0.00000 0.00000 Sn 0.00414 0.00302 0.00314 0.00002 -0.00009 0.00007 O1 0.01025 0.00399 0.00462 -0.00155 0.00000 0.00000 O2 0.00512 0.00240 0.00956 -0.00171 0.00108 -0.00067