#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007582.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_9007582
_chemical_name 'KH2PO4'
loop_
_publ_author_name
'Baur W H'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 29
_journal_year 1973
_journal_page_first 2726
_journal_page_last 2731
_publ_section_title
;
 Reconstruction of local atomic environments in the disordered
 hydrogen-bonded crystal structures of paraelectric ammonium
 dihydrogen phosphate and potassium dihydrogen phosphate
 Note: known as KDP
 Note: polymorph of archerite
;
_chemical_formula_sum 'K P O4 H2'
_cell_length_a 7.434
_cell_length_b 7.434
_cell_length_c 6.945
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 383.811
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K   0.00000   0.00000   0.50000
P   0.00000   0.00000   0.00000
O1   0.08970   0.15150   0.12560
O2   0.15570   0.91810   0.87430
O3   0.92620   0.85680   0.13030
O4   0.86180   0.08310   0.86990
H1   0.23200   0.14600   0.12800
H2   0.14600   0.77600   0.88200