data_global _amcsd_formula_title 'Mo1.04 O11 P2 W0.96' loop_ _publ_author_name 'Leclaire A' 'Borel M' 'Chardon J' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 128 _journal_year 1997 _journal_page_first 191 _journal_page_last 196 _publ_section_title ; The molybdenotungsten monophosphate Mo W O3 (P O4)2: an original three- dimensional framework built up of "M P O8" chains (M = Mo, W) _cod_database_code 1001804 ; _database_code_amcsd 0013915 _chemical_formula_sum '(W.96 Mo1.04) P2 O11' _cell_length_a 7.827 _cell_length_b 12.538 _cell_length_c 7.833 _cell_angle_alpha 90 _cell_angle_beta 92.36 _cell_angle_gamma 90 _cell_volume 768.039 _exptl_crystal_density_diffrn 4.447 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-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 W1 0.14929 0.49729 0.69218 0.55000 Mo1 0.14929 0.49729 0.69218 0.45000 W2 0.35910 0.25000 0.20210 0.47000 Mo2 0.35910 0.25000 0.20210 0.53000 W3 0.36080 0.75000 0.18980 0.35000 Mo3 0.36080 0.75000 0.18980 0.65000 P1 0.25260 0.49460 0.11730 1.00000 P2 0.24940 0.75000 0.60370 1.00000 P3 0.07410 0.25000 0.84680 1.00000 O1 0.33090 0.47610 0.58810 1.00000 O2 0.00000 0.50000 0.50000 1.00000 O3 0.16940 0.65340 0.69030 1.00000 O4 0.26220 0.50500 0.92280 1.00000 O5 0.10160 0.34730 0.73550 1.00000 O6 -0.07670 0.53110 0.82950 1.00000 O7 0.20800 0.25000 -0.00500 1.00000 O8 0.37610 0.40340 0.17540 1.00000 O9 0.20400 0.25000 0.34600 1.00000 O10 0.56620 0.25000 0.01700 1.00000 O11 0.55500 0.25000 0.35600 1.00000 O12 0.10110 0.75000 0.07700 1.00000 O13 0.32540 0.59490 0.20390 1.00000 O14 0.22000 0.75000 0.41300 1.00000 O15 0.54800 0.75000 0.30800 1.00000