#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007430.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_9007430
_chemical_name 'Archerite'
loop_
_publ_author_name
'Frazer B C'
'Pepinsky R'
_journal_name_full "Acta Crystallographica"
_journal_volume 6
_journal_year 1953
_journal_page_first 273
_journal_page_last 285
_publ_section_title
;
 X-ray analysis of the ferroelectric transition in KH2PO4
 Sample: at T = 116 K
 Locality: synthetic
;
_chemical_formula_sum 'K P (O4 H2)'
_cell_length_a 10.53
_cell_length_b 10.44
_cell_length_c 6.90
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 758.539
_symmetry_space_group_name_H-M 'F d d'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4-x,3/4+y,3/4+z'
  '3/4-x,1/4+y,1/4+z'
  '1/4-x,3/4+y,1/4+z'
  '1/4-x,1/4+y,3/4+z'
  '1/2-x,-y,1/2+z'
  '1/2-x,1/2-y,+z'
  '-x,-y,+z'
  '-x,1/2-y,1/2+z'
  '3/4+x,1/4-y,1/4+z'
  '3/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,1/4+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
K   0.00000   0.00000   0.51200   1.00000   0.00583
P   0.00000   0.00000   0.00000   1.00000   0.00494
O1   0.11600   0.03500   0.13600   0.50000   0.00469
O-H1   0.11600   0.03500   0.13600   0.50000   0.00469
O2  -0.03500   0.11600  -0.12400   0.50000   0.00469
O-H2  -0.03500   0.11600  -0.12400   0.50000   0.00469