data_global _amcsd_formula_title 'H23.5 O36.5 P8 Tl3.5' loop_ _publ_author_name 'Chiadmi M' 'Vicat J' 'Tran Qui D' 'Boudjada A' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 41 _journal_year 1985 _journal_page_first 811 _journal_page_last 814 _publ_section_title ; Structure de l'orthophosphate acide de thallium a valence mixte, (Tl3 (Tl0.5 (H3 O)0.5) H14 (P O4)8) (H2 O)4 _cod_database_code 1008945 ; _database_code_amcsd 0016809 _chemical_formula_sum 'Tl3.5 P8 O36.5' _cell_length_a 9.820 _cell_length_b 9.973 _cell_length_c 17.87 _cell_angle_alpha 90.14 _cell_angle_beta 90.01 _cell_angle_gamma 119.46 _cell_volume 1523.801 _exptl_crystal_density_diffrn 3.372 _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 Tl1 0.66340 0.00010 0.25013 1.00000 Tl2 0.81250 0.57590 0.24197 1.00000 Tl3 0.23670 0.42420 0.25821 1.00000 Tl4 0.24070 0.00010 0.25006 0.50000 P1 0.11530 0.64220 0.36060 1.00000 P2 0.35910 0.74970 0.13990 1.00000 P3 0.99680 0.10810 0.36410 1.00000 P4 0.47340 0.35790 0.14000 1.00000 P5 0.88920 0.89240 0.13660 1.00000 P6 0.57870 0.67560 0.34750 1.00000 P7 0.60930 0.25000 0.36090 1.00000 P8 0.90330 0.32480 0.15200 1.00000 O1 0.13200 0.50300 0.34000 1.00000 O2 0.03500 0.68900 0.30300 1.00000 O3 0.03300 0.61500 0.43600 1.00000 O4 0.27400 0.78500 0.38000 1.00000 O5 0.43600 0.75900 0.06500 1.00000 O6 0.19700 0.73400 0.11700 1.00000 O7 0.44900 0.90100 0.18300 1.00000 O8 0.34200 0.61000 0.17400 1.00000 O9 0.98900 0.95200 0.37000 1.00000 O10 0.01600 0.16800 0.44500 1.00000 O11 0.14800 0.21100 0.32200 1.00000 O12 0.85100 0.09200 0.33300 1.00000 O13 0.62700 0.49600 0.15700 1.00000 O14 0.48400 0.20800 0.12200 1.00000 O15 0.34700 0.31000 0.19700 1.00000 O16 0.41800 0.38600 0.06300 1.00000 O17 0.85000 0.83600 0.05300 1.00000 O18 0.93300 0.78600 0.17400 1.00000 O19 0.04400 0.05100 0.13300 1.00000 O20 0.75500 0.90400 0.16600 1.00000 O21 0.44900 0.50900 0.33000 1.00000 O22 0.53200 0.79100 0.32300 1.00000 O23 0.73800 0.70500 0.31700 1.00000 O24 0.59600 0.69700 0.43500 1.00000 O25 0.54600 0.09900 0.31800 1.00000 O26 0.67500 0.23900 0.43700 1.00000 O27 0.73200 0.39200 0.32300 1.00000 O28 0.46400 0.26400 0.38500 1.00000 O29 0.94100 0.49100 0.16900 1.00000 O30 0.02700 0.29000 0.18700 1.00000 O31 0.73800 0.20700 0.17900 1.00000 O32 0.90100 0.30500 0.06600 1.00000 O33 0.29100 0.01200 0.99800 1.00000 O34 0.28500 0.99200 0.49800 1.00000 O35 0.18000 0.44600 0.99900 1.00000 O36 0.26200 0.44400 0.50300 1.00000 O37 0.24070 0.00010 0.25006 0.50000