data_global _amcsd_formula_title 'Mo2 Na3 O14 P3' loop_ _publ_author_name 'Ledain S' 'Leclaire A' 'Borel M' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 132 _journal_year 1997 _journal_page_first 249 _journal_page_last 256 _publ_section_title ; A sodium molybdenyl monophosphate with an intersecting tunnel structure: Na3 (Mo O)2 (P O4)3 _cod_database_code 1001811 ; _database_code_amcsd 0013935 _chemical_formula_sum 'Mo2 P3 Na3.04 O14' _cell_length_a 15.211 _cell_length_b 8.9093 _cell_length_c 9.362 _cell_angle_alpha 90 _cell_angle_beta 115.99 _cell_angle_gamma 90 _cell_volume 1140.426 _exptl_crystal_density_diffrn 3.370 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo1 0.16593 0.06960 0.11780 1.00000 P1 0.17150 0.44150 0.03800 1.00000 P2 0.00000 -0.01210 0.25000 1.00000 Na1 0.43580 0.16270 0.33700 0.71000 Na2 -0.03100 0.33100 0.26700 0.42000 Na3 -0.03000 0.30800 -0.01900 0.25000 Na4 0.20000 0.26700 0.42600 0.14000 O1 0.14480 0.88530 0.08460 1.00000 O2 0.26810 0.06450 0.34190 1.00000 O3 0.06090 0.09360 0.20130 1.00000 O4 0.27600 0.10170 0.06300 1.00000 O5 0.06240 0.11760 0.88570 1.00000 O6 0.16460 0.30400 0.13230 1.00000 O7 0.07270 0.50300 -0.06790 1.00000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Mo1 0.01240 0.00820 0.00890 -0.00170 0.00410 -0.00040 P1 0.01100 0.01100 0.01300 -0.00100 0.00600 -0.00100 P2 0.00700 0.01100 0.01200 0.00000 0.00500 0.00000 Na1 0.03800 0.02200 0.05300 -0.00100 0.01600 0.00800 Na2 0.06000 0.01400 0.05000 -0.01800 -0.01300 0.00900 Na3 0.07000 0.04000 0.21000 0.02000 0.11000 0.04000 Na4 0.05000 0.04000 0.03000 0.02000 0.03000 0.00000 O1 0.02600 0.01100 0.02600 -0.00500 0.00400 -0.00200 O2 0.03200 0.01000 0.01500 0.00500 0.00000 0.00600 O3 0.02100 0.01900 0.03500 -0.00900 0.02100 0.00100 O4 0.04100 0.02200 0.04800 -0.00500 0.03700 -0.00600 O5 0.02300 0.01000 0.01000 0.00100 0.00000 0.00500 O6 0.02900 0.01200 0.00900 -0.00400 0.01000 0.00300 O7 0.00700 0.03100 0.03500 0.00200 -0.00400 0.00900