#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012247.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2012247
_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            'Cs3 O3 Sb'
_[local]_cod_chemical_formula_sum_orig 'Cs3 O3 Sb1'
_chemical_formula_iupac  'Cs3 [Sb O3]'
_chemical_formula_weight  568.48
_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  9.1369(10)
_cell_length_b  9.1369(10)
_cell_length_c  9.1369(10)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  762.78(14)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  4.950
_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
  Cs1  .77732(3)  .77732(3)  .77732(3)  .02308(10) Uani d S 1 . . Cs
  Cs2  .27318(3)  .27318(3)  .27318(3)  .02379(11) Uani d S 1 . . Cs
  Cs3  .01855(3)  .01855(3)  .01855(3)  .02933(10) Uani d S 1 . . Cs
  Sb1  .50362(2)  .50362(2)  .50362(2)  .01958(8) Uani d S 1 . . Sb
  O1  .0055(3)  .2041(3)  .4592(3)  .0295(5) 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
  Cs1  .02308(10)  .02308(10)  .02308(10)  .00097(10)  .00097(10)  .00097(10)
  Cs2  .02379(11)  .02379(11)  .02379(11)  -.00051(9)  -.00051(9)  -.00051(9)
  Cs3  .02933(10)  .02933(10)  .02933(10)  -.00225(10)  -.00225(10)
  -.00225(10)
  Sb1  .01958(8)  .01958(8)  .01958(8)  -.00125(9)  -.00125(9)  -.00125(9)
  O1  .0282(13)  .0266(11)  .0336(12)  -.0037(10)  -.0021(12)  .0089(11)
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
  Cs1 O1 5_556 3.077(2) n
  Cs1 O1 9_655 3.077(2) n
  Cs1 O1 10_565 3.077(2) y
  Cs1 O1 11_665 3.191(3) y
  Cs1 O1 7_656 3.191(2) n
  Cs1 O1 6_566 3.191(2) n
  Cs2 O1 2 3.044(3) n
  Cs2 O1 3 3.044(3) n
  Cs2 O1 . 3.044(3) y
  Cs2 O1 8_655 3.245(3) y
  Cs2 O1 4_556 3.245(3) n
  Cs2 O1 12_565 3.245(3) n
  Cs3 O1 11_554 2.888(2) n
  Cs3 O1 7_545 2.888(2) n
  Cs3 O1 6_455 2.888(2) y
  Sb1 O1 8_655 1.928(2) y
  Sb1 O1 4_556 1.928(2) ?
  Sb1 O1 12_565 1.928(2) ?
  O1 Sb1 4_456 1.928(2) n
  O1 Cs3 7 2.888(2) n
  O1 Cs1 10_564 3.077(2) n
  O1 Cs1 7_646 3.191(2) n
  O1 Cs2 4_456 3.245(3) n
_cod_database_code 2012247