#------------------------------------------------------------------------------
#$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012333.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_2012333
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  1239
_journal_page_last  1241
_publ_section_title
;
Potassium oxoantimonate(V), K~3~[SbO~4~]
;
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 2/c'
loop_
_publ_author_name
  'Hirschle, Christian'
  'Rosstauscher, J\"urgen'
  'R\"ohr, Caroline'
_chemical_formula_moiety  'K3 [Sb O4]'
_chemical_formula_sum  'K3 O4 Sb'
_chemical_formula_iupac  'K3 [Sb O4]'
_chemical_formula_weight  303.05
_symmetry_cell_setting  monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z+1/2'
  '-x, -y, -z'
  'x, -y, z-1/2'
_cell_length_a  5.7971(12)
_cell_length_b  6.5933(14)
_cell_length_c  5.4179(12)
_cell_angle_alpha  90
_cell_angle_beta  109.394(4)
_cell_angle_gamma  90
_cell_volume  195.33(7)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  5.153
_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
  Sb1  .5000  .86977(8)  .2500  .0110(4) Uani d S 1 . . Sb
  O1  .2733(11)  .3322(9)  .5407(12)  .0151(11) Uani d . 1 . . O
  O2  .3045(11)  .0986(8)  .0005(11)  .0121(11) Uani d . 1 . . O
  K1  .5000  .3832(4)  .2500  .0385(10) Uani d S 1 . . K
  K2  .0000  .1253(5)  .2500  .0437(12) Uani d S 1 . . K
  K3  .0000  .6099(6)  .2500  .0516(13) Uani d S 1 . . K
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
  Sb1  .0151(6)  .0086(6)  .0084(5)  .000  .0027(3)  .000
  O1  .018(3)  .016(2)  .009(2)  .002(2)  .001(2)  -.002(2)
  O2  .015(2)  .016(2)  .004(2)  .000(2)  .0011(19)  -.0006(18)
  K1  .045(2)  .034(2)  .036(2)  .000  .0133(18)  .000
  K2  .046(2)  .037(2)  .043(3)  .000  .007(2)  .000
  K3  .055(3)  .051(3)  .054(3)  .000  .024(2)  .000
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
  Sb1 O1 4_565 1.949(6) y
  Sb1 O1 3_666 1.949(6) ?
  Sb1 O2 3_665 2.047(6) y
  Sb1 O2 4_566 2.047(6) ?
  Sb1 O2 1_565 2.091(6) y
  Sb1 O2 2_665 2.091(6) ?
  Sb1 K1 3_666 3.1813(15) ?
  Sb1 K1 3_665 3.1813(15) ?
  Sb1 Sb1 3_676 3.2074(8) ?
  Sb1 Sb1 3_675 3.2075(8) ?
  Sb1 K1 . 3.208(3) ?
  Sb1 K2 3_666 3.2444(5) ?
  O1 Sb1 3_666 1.949(6) ?
  O1 K1 3_666 2.355(6) y
  O1 K1 . 2.387(6) y
  O1 K2 . 2.279(6) y
  O1 K3 3_566 2.266(6) y
  O1 K3 . 2.585(7) y
  O2 Sb1 3_665 2.047(6) ?
  O2 Sb1 1_545 2.091(6) ?
  O2 K1 . 2.370(6) y
  O2 K2 3 2.355(6) y
  O2 K2 . 2.561(6) y
  O2 K3 3_565 2.657(7) y
  K1 O1 3_666 2.354(6) ?
  K1 O1 4_565 2.354(6) ?
  K1 O2 2_655 2.370(6) ?
  K1 O1 2_655 2.387(6) ?
  K1 K1 3_666 3.116(3) ?
  K1 K1 3_665 3.116(3) ?
  K1 Sb1 3_666 3.1813(15) ?
  K1 Sb1 3_665 3.1813(15) ?
  K1 K3 3_666 3.2446(5) ?
  K2 O1 2 2.279(6) ?
  K2 O2 3 2.355(6) ?
  K2 O2 4_556 2.355(6) ?
  K2 O2 2 2.561(6) ?
  K2 K2 3_556 3.173(3) ?
  K2 K2 3 3.173(3) ?
  K2 K3 . 3.195(7) ?
  K2 K3 3_566 3.2229(19) ?
  K2 K3 3_565 3.2229(19) ?
  K2 Sb1 3_666 3.2444(5) ?
  K3 O1 4_565 2.266(6) ?
  K3 O1 3_566 2.266(6) ?
  K3 O1 2 2.585(7) ?
  K3 O2 4_566 2.657(7) ?
  K3 O2 3_565 2.657(7) ?
  K3 K3 3_566 3.072(4) ?
  K3 K3 3_565 3.072(4) ?
  K3 K2 3_566 3.2229(19) ?
  K3 K2 3_565 3.2229(19) ?
  K3 K1 3_666 3.2446(5) ?