data_global _chemical_name_mineral 'Malayaite' loop_ _publ_author_name 'Rath S' 'Kunz M' 'Miletich R' _journal_name_full 'American Mineralogist' _journal_volume 88 _journal_year 2003 _journal_page_first 293 _journal_page_last 300 _publ_section_title ; Pressure-induced phase transition in malayaite, CaSnOSiO4 Sample: at P = 5.769 GPa ; _database_code_amcsd 0002984 _chemical_formula_sum 'Ca Sn Si O5' _cell_length_a 7.0252 _cell_length_b 8.8281 _cell_length_c 6.5318 _cell_angle_alpha 89.861 _cell_angle_beta 112.840 _cell_angle_gamma 90.171 _cell_volume 373.332 _exptl_crystal_density_diffrn 4.748 _symmetry_space_group_name_H-M 'A -1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '-x,-y,-z' '-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_U_iso_or_equiv Ca 0.24620 0.66200 0.50200 0.02830 Sn 0.50000 0.50000 0.00000 0.01140 Sn2 0.00000 0.50000 0.00000 0.01160 Si 0.74940 0.68200 0.49900 0.01210 O1 0.75300 0.58900 0.00200 0.01000 O2 0.91900 0.56800 0.67100 0.01000 O22 -0.41900 0.56700 -0.67300 0.01000 O3 0.37000 0.71200 0.88600 0.01000 O32 0.13100 0.71300 -0.88300 0.01000