data_global _amcsd_formula_title 'Mg3 O24 P6 Ti4' loop_ _publ_author_name 'Benmoussa A' 'Borel M' 'Grandin A' 'Leclaire A' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 84 _journal_year 1990 _journal_page_first 299 _journal_page_last 307 _publ_section_title ; A new phosphate of trivalent titanium Mg3Ti4P6O24 _cod_database_code 1001440 ; _database_code_amcsd 0013672 _chemical_formula_sum 'Ti4.001 Mg2.999 P6 O24' _cell_length_a 6.3911 _cell_length_b 7.9616 _cell_length_c 9.4299 _cell_angle_alpha 67.614 _cell_angle_beta 69.348 _cell_angle_gamma 79.327 _cell_volume 414.437 _exptl_crystal_density_diffrn 3.343 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti1 0.97299 0.22092 0.47552 1.00000 Ti2 0.77344 0.03995 0.12286 0.66700 Mg1 0.77344 0.03995 0.12286 0.33300 Ti3 0.50000 0.50000 0.00000 0.66700 Mg2 0.50000 0.50000 0.00000 0.33300 Mg3 0.49665 0.68976 0.28653 1.00000 P1 0.04248 0.64357 0.22790 1.00000 P2 0.52306 0.27522 0.36916 1.00000 P3 0.25010 0.08515 0.16701 1.00000 O1 0.85261 0.31374 0.66518 1.00000 O2 -0.00200 0.44417 0.29391 1.00000 O3 -0.37280 0.28525 0.49140 1.00000 O4 0.28440 0.22400 0.46119 1.00000 O5 0.09740 0.04202 0.34575 1.00000 O6 0.46264 0.95653 0.16568 1.00000 O7 0.81889 0.75637 0.22662 1.00000 O8 0.78560 0.31067 0.94403 1.00000 O9 0.66360 0.13884 0.29106 1.00000 O10 0.88489 0.96158 0.91927 1.00000 O11 0.53030 0.46389 0.23290 1.00000 O12 0.31790 0.27954 0.08618 1.00000