data_global _amcsd_formula_title 'CsAl(MoO4)2' loop_ _publ_author_name 'Tomaszewski P E' 'Pietraszko A' 'Maczka M' 'Hanuza J' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 58 _journal_year 2002 _journal_page_first i119 _journal_page_last i120 _publ_section_title ; CsAl(MoO4)2 ; _database_code_amcsd 0010393 _chemical_formula_sum 'Cs Al Mo2 O8' _cell_length_a 5.5510 _cell_length_b 5.5510 _cell_length_c 8.037 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 214.470 _exptl_crystal_density_diffrn 3.715 _symmetry_space_group_name_H-M 'P -3 m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' 'y,-x+y,-z' '-x,-x+y,-z' '-x+y,-x,z' '-x+y,y,z' '-x,-y,-z' 'y,x,-z' '-y,x-y,z' 'x,x-y,z' 'x-y,x,-z' 'x-y,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Cs 0.00000 0.00000 0.00000 0.02029 Al 0.00000 0.00000 0.50000 0.01040 Mo 0.33333 0.66667 0.70401 0.01026 O1 0.33333 0.66667 0.91820 0.02130 O2 0.15850 0.31700 0.63770 0.02440 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 Cs 0.02162 0.02162 0.01760 0.01081 0.00000 0.00000 Al 0.00840 0.00840 0.01450 0.00420 0.00000 0.00000 Mo 0.00938 0.00938 0.01200 0.00469 0.00000 0.00000 O1 0.02570 0.02570 0.01260 0.01280 0.00000 0.00000 O2 0.02650 0.01410 0.02840 0.00700 -0.00360 -0.00730