data_global _amcsd_formula_title 'Ca.1Sr.9TiOGeO4' loop_ _publ_author_name 'Ellemann-Olesen R' 'Malcherek T' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 32 _journal_year 2005 _journal_page_first 531 _journal_page_last 545 _publ_section_title ; The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr90 ; _database_code_amcsd 0008991 _chemical_formula_sum 'Sr.923 Ca.076 Ti Ge O5' _cell_length_a 7.2125 _cell_length_b 9.0557 _cell_length_c 6.7692 _cell_angle_alpha 90 _cell_angle_beta 113.520 _cell_angle_gamma 90 _cell_volume 405.394 _exptl_crystal_density_diffrn 4.660 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,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_occupancy _atom_site_U_iso_or_equiv Sr 0.24440 0.41950 0.25330 0.92300 0.02500 Ca 0.24440 0.41950 0.25330 0.07600 0.02500 Ti 0.51220 0.25950 0.74830 1.00000 0.01500 Ge 0.74570 0.43650 0.24680 1.00000 0.01300 O1 0.74060 0.31190 0.74570 1.00000 0.01000 O2A 0.90080 0.31650 0.44160 1.00000 0.01000 O2B 0.08010 0.19120 0.06170 1.00000 0.01000 O3A 0.40610 0.45030 0.63850 1.00000 0.01000 O3B 0.61840 0.04180 0.84440 1.00000 0.01000