#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007968.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_9007968
_chemical_name 'KCaF(CO3)'
loop_
_publ_author_name
'Chen X L'
'He M'
'Xu Y P'
'Li H Q'
'Tu Q Y'
_journal_name_full "Acta Crystallographica, Section E"
_journal_volume 60
_journal_year 2004
_journal_page_first i50
_journal_page_last i51
_publ_section_title
;
 KCaF(CO3) from X-ray powder data
;
_chemical_formula_sum 'K Ca C O3 F'
_cell_length_a 5.10093
_cell_length_b 5.10093
_cell_length_c 4.45510
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 100.389
_symmetry_space_group_name_H-M 'P -6 m 2'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,x-y,-z'
  '-x+y,-x,-z'
  '-y,-x,z'
  '-y,x-y,z'
  '-x+y,y,-z'
  'x,y,-z'
  'x,x-y,z'
  '-x+y,-x,z'
  '-y,-x,-z'
  '-y,x-y,-z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
K   0.00000   0.00000   0.00000   0.01260
Ca   0.33333   0.66667   0.50000   0.01000
C   0.66667   0.33333   0.50000   0.01800
O   0.81200   0.18800   0.50000   0.01290
F   0.33333   0.66667   0.00000   0.01960