#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/25/2012559.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_2012559
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  i31
_journal_page_last  i32
_publ_section_title
;
A tetragonal polymorph of caesium hydroxide monohydrate, CsOH.H~2~O, from X-ray
powder data
;
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_[local]_cod_cif_authors_sg_H-M  'I 41/a m d'
loop_
_publ_author_name
  "\<Cern\'y, Radovan"
  'Favre-Nicolin, Vincent'
  'Bertheville, Bernard'
_chemical_formula_moiety  'Cs H O , H2 O'
_chemical_formula_sum  'Cs H3 O2'
_chemical_formula_structural  'Cs O H , H2 O'
_chemical_formula_iupac  'Cs O H , H2 O'
_chemical_formula_weight  167.93
_symmetry_cell_setting  tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  +x,+y,+z
  +x,-y,-z
  1/2-x,-y,1/2+z
  1/2-x,+y,1/2-z
  1/4+y,3/4+x,1/4-z
  1/4+y,1/4-x,3/4+z
  1/4-y,3/4+x,1/4+z
  1/4-y,1/4-x,3/4-z
  -x,-y,-z
  -x,+y,+z
  1/2+x,+y,1/2-z
  1/2+x,-y,1/2+z
  3/4-y,1/4-x,3/4+z
  3/4-y,3/4+x,1/4-z
  3/4+y,1/4-x,3/4-z
  3/4+y,3/4+x,1/4+z
  1/2+x,1/2+y,1/2+z
  1/2+x,1/2-y,1/2-z
  -x,1/2-y,+z
  -x,1/2+y,-z
  3/4+y,1/4+x,3/4-z
  3/4+y,3/4-x,1/4+z
  3/4-y,1/4+x,3/4+z
  3/4-y,3/4-x,1/4-z
  1/2-x,1/2-y,1/2-z
  1/2-x,1/2+y,1/2+z
  +x,1/2+y,-z
  +x,1/2-y,+z
  1/4-y,3/4-x,1/4+z
  1/4-y,1/4+x,3/4-z
  1/4+y,3/4-x,1/4-z
  1/4+y,1/4+x,3/4+z
_cell_length_a  4.38088(4)
_cell_length_b  4.38088(4)
_cell_length_c  15.46525(17)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  296.811(5)
_cell_formula_units_Z  4
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  3.785(2)
_diffrn_ambient_temperature  293
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_type_symbol
  Cs 0  .75  .125  .0328(5) Uiso 1 Cs
  O 0  .25  .4560(5)  .004(2) Uiso 1 O
  H1 0  .25  .375  .012 Uiso 1 H
  H2 0 0  .5  .012 Uiso 1 H
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Cs O . '6 564' 3.341(3) n
  Cs O . '6 554' 3.341(3) n
  Cs O . '6 464' 3.341(3) n
  Cs O . '6 454' 3.341(3) n
  Cs O . '4 465' 3.341(3) n
  Cs O . 4 3.341(3) yes
  Cs O . '4 565' 3.341(3) n
  Cs O . '4 455' 3.341(3) n
  Cs O . 8 3.410(6) yes
  Cs O . '8 565' 3.410(6) n
  Cs O . '3 564' 3.410(6) n
  Cs O . '3 464' 3.410(6) n
  O O . 8 2.505(11) yes
  O O . '2 556' 2.579(6) yes
  O O . '2 566' 2.579(6) n
_cod_database_code 2012559