data_global _amcsd_formula_title 'Cs6 H2 Mo7 O38 P7' loop_ _publ_author_name 'Guesdon A' 'Borel M' 'Leclaire A' 'Grandin A' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 111 _journal_year 1994 _journal_page_first 315 _journal_page_last 321 _publ_section_title ; A mixed-valent molybdenum monophosphate with a "butterfly"-shaped tunnel structure Cs6Mo7O9(PO4)7*H2O _cod_database_code 1001603 ; _database_code_amcsd 0013814 _chemical_formula_sum 'Cs6 Mo7 P7 O38' _cell_length_a 10.084 _cell_length_b 21.297 _cell_length_c 17.491 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 3756.349 _exptl_crystal_density_diffrn 4.056 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Cs1 0.45530 0.03800 0.60850 Cs2 0.18720 0.25000 0.58110 Cs3 0.37130 0.13420 0.17370 Cs4 0.24400 0.25000 0.83230 Mo1 0.03760 0.18890 0.02160 Mo2 0.07630 0.04250 0.51520 Mo3 0.14940 0.98750 0.31500 Mo4 0.26250 0.25000 0.35190 P1 0.13000 0.09310 0.69740 P2 0.28600 0.08330 0.97590 P3 0.29930 0.10300 0.40060 P4 0.08000 0.25000 0.18700 O1 0.47900 0.17900 0.56800 O2 0.17100 0.25000 0.00400 O3 -0.06400 0.10900 0.05800 O4 0.19300 0.12700 0.01400 O5 0.89500 0.25000 0.06200 O6 0.09800 0.19100 0.13900 O7 -0.06600 0.10500 0.50900 O8 0.15400 0.08300 0.61100 O9 0.03700 0.00600 0.41100 O10 0.18200 0.10800 0.45400 O11 0.22900 -0.01600 0.51500 O12 0.12300 0.25000 0.40300 O13 0.17600 0.25000 0.25100 O14 0.27900 0.15800 0.34400 O15 0.43700 0.25000 0.28000 O16 0.09100 0.04600 0.26200 O17 0.01800 0.92400 0.28200 O18 0.27300 0.95500 0.24000 O19 0.30100 0.04000 0.36000 O20 0.23600 0.92000 0.39200 O21 0.16200 0.15900 0.72000 O22 0.43800 0.25000 0.72700