data_2012246 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2001 _journal_volume 57 _journal_page_first 1127 _journal_page_last 1128 _publ_section_title ; Alkaline metal oxoantimonates(III), A~3~[SbO~3~] (A = K or Cs) ; loop_ _publ_author_name 'Emmerling, Franziska' 'R\"ohr, Caroline' _chemical_formula_sum 'K3 O3 Sb' _chemical_formula_iupac 'K3 [Sb O3]' _chemical_formula_weight 287.05 _symmetry_cell_setting cubic _symmetry_space_group_name_H-M 'P 21 3' _symmetry_space_group_name_Hall 'P 2ac 2ab 3' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'z, x, y' 'y, z, x' 'x+1/2, -y+1/2, -z' 'z+1/2, -x+1/2, -y' 'y+1/2, -z+1/2, -x' '-x, y+1/2, -z+1/2' '-z, x+1/2, -y+1/2' '-y, z+1/2, -x+1/2' '-x+1/2, -y, z+1/2' '-z+1/2, -x, y+1/2' '-y+1/2, -z, x+1/2' _cell_length_a 8.352(5) _cell_length_b 8.352(5) _cell_length_c 8.352(5) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 582.7(5) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 3.272 _diffrn_ambient_temperature 293(2) loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol Sb .51456(4) .51456(4) .51456(4) .01377(18) Uani d S 1 . . Sb K1 .7890(2) .7890(2) .7890(2) .0192(5) Uani d S 1 . . K K2 .2839(2) .2839(2) .2839(2) .0177(5) Uani d S 1 . . K K3 .02565(16) .02565(16) .02565(16) .0242(4) Uani d S 1 . . K O1 .0051(5) .2108(4) .4391(4) .0206(8) Uani d . 1 . . O 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 Sb .01377(18) .01377(18) .01377(18) -.00078(16) -.00078(16) -.00078(16) K1 .0192(5) .0192(5) .0192(5) .0025(8) .0025(8) .0025(8) K2 .0177(5) .0177(5) .0177(5) -.0006(7) -.0006(7) -.0006(7) K3 .0242(4) .0242(4) .0242(4) -.0008(5) -.0008(5) -.0008(5) O1 .0165(19) .0179(17) .0274(17) -.003(2) -.0001(19) .0076(13) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Sb O1 4_556 1.923(4) y Sb O1 8_655 1.923(4) ? Sb O1 12_565 1.923(4) ? K1 O1 5_556 2.758(5) y K1 O1 9_655 2.758(5) n K1 O1 10_565 2.758(5) n K1 O1 7_656 2.922(5) y K1 O1 6_566 2.922(5) n K1 O1 11_665 2.922(5) n K2 O1 2 2.734(4) y K2 O1 3 2.734(4) n K2 O1 . 2.734(4) n K2 O1 4_556 2.961(5) y K2 O1 12_565 2.961(5) n K2 O1 8_655 2.961(5) n K3 O1 7_545 2.659(4) y K3 O1 11_554 2.659(4) n K3 O1 6_455 2.659(4) n O1 Sb 4_456 1.923(4) n O1 K3 7 2.659(4) n O1 K1 10_564 2.758(5) n O1 K1 7_646 2.922(5) n O1 K2 4_456 2.961(5) n