data_global _amcsd_formula_title 'Mo2 O12 P3 Tl' loop_ _publ_author_name 'Leclaire A' 'Monier J' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 59 _journal_year 1985 _journal_page_first 301 _journal_page_last 305 _publ_section_title ; Tl Mo2^IV^ P3 O12: A Molybdenophosphate with a Tunnel Structure _cod_database_code 1001342 ; _database_code_amcsd 0013555 _chemical_formula_sum 'Mo2 Tl P3 O12' _cell_length_a 8.836 _cell_length_b 9.255 _cell_length_c 12.288 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1004.878 _exptl_crystal_density_diffrn 4.503 _symmetry_space_group_name_H-M 'P b c m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,1/2+y,z' 'x,1/2-y,-z' 'x,y,1/2-z' '-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mo1 0.24728 0.02987 0.10109 Tl1 -0.18018 0.16397 0.25000 P1 -0.02550 0.25000 0.00000 P2 0.40840 0.36020 0.12960 O1 0.21470 0.01750 0.25000 O2 0.12340 -0.15070 0.07030 O3 0.29860 0.04950 -0.06060 O4 0.38660 0.19940 0.12220 O5 0.42870 -0.10520 0.11530 O6 0.06660 0.16240 0.08030 O7 0.35640 0.40990 0.25000