data_global _chemical_name_mineral 'Thortveitite' loop_ _publ_author_name 'Zachariasen W' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 73 _journal_year 1930 _journal_page_first 1 _journal_page_last 6 _publ_section_title ; The structure of thortveitite, Sc2 Si O7 _cod_database_code 1011147 ; _database_code_amcsd 0018032 _chemical_formula_sum 'Sc2 Si2 O7' _cell_length_a 6.56 _cell_length_b 8.58 _cell_length_c 4.74 _cell_angle_alpha 90 _cell_angle_beta 103.13 _cell_angle_gamma 90 _cell_volume 259.815 _exptl_crystal_density_diffrn 3.299 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Sc1 0.00000 0.30000 0.50000 Si1 0.22200 0.00000 -0.06400 O1 0.00000 0.00000 0.00000 O2 0.40300 0.00000 0.23300 O3 0.25000 0.15000 -0.26900