#------------------------------------------------------------------------------
#$Date: 2009-11-16 03:43:51 +0200 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2013920.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_2013920
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2004
_journal_volume  60
_journal_page_first  i53
_journal_page_last  i55
_publ_section_title
;
The alkali hypophosphites KH~2~PO~2~, RbH~2~PO~2~ and CsH~2~PO~2~
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
loop_
_publ_author_name
  'Naumova, Marina I.'
  'Kuratieva, Natalia V.'
  'Podberezskaya, Nina V.'
  'Naumov, Dmitry Yu.'
_chemical_name_common  'Potassium hypophosphite'
_chemical_formula_moiety  'H2 O2 P , K'
_chemical_formula_sum  'H2 K O2 P'
_chemical_formula_structural  'K H2 P O2'
_chemical_formula_iupac  'K H2 P O2'
_chemical_formula_weight  104.09
_symmetry_cell_setting  'Monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z+1/2'
  'x+1/2, y+1/2, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y, z-1/2'
  '-x+1/2, -y+1/2, -z'
  'x+1/2, -y+1/2, z-1/2'
_cell_length_a  7.3131(10)
_cell_length_b  7.2952(8)
_cell_length_c  7.1814(10)
_cell_angle_alpha  90.00
_cell_angle_beta  116.205(10)
_cell_angle_gamma  90.00
_cell_volume  343.75(8)
_cell_formula_units_Z  4
_cell_measurement_temperature  296(2)
_exptl_crystal_density_diffrn  2.011
_diffrn_ambient_temperature  296(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
  K 0.5000 0.14284(7) 0.2500 0.0267(2) Uani d S 1 . . K
  P 0.0000 0.17744(8) 0.2500 0.0257(2) Uani d S 1 . . P
  H -0.119(4) 0.066(3) 0.112(4) 0.048(7) Uiso d . 1 . . H
  O 0.1173(2) 0.28267(19) 0.16055(19) 0.0337(3) 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
  K 0.0290(3) 0.0334(3) 0.0221(3) 0.000 0.0153(2) 0.000
  P 0.0310(4) 0.0282(3) 0.0240(3) 0.000 0.0178(3) 0.000
  O 0.0364(7) 0.0429(7) 0.0331(6) 0.0012(5) 0.0256(6) 0.0044(5)
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
  K O . 2.7747(14) Yes
  K O 7 2.7368(13) Yes
  K O 8_556 2.7368(13) No
  K O 2_655 2.7747(14) No
  K O 3_545 2.9220(15) Yes
  K O 4_545 2.9220(15) No
  P O . 1.4914(12) Yes
  P O 2 1.4914(12) No
  P H . 1.28(3) yes
  O K 7 2.7368(13) No
  O K 3_455 2.9220(15) No