#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$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
loop_
_publ_author_name
'Chen X L'
'He M'
'Xu Y P'
'Li H Q'
'Tu Q Y'
_publ_section_title
;
 KCaF(CO3) from X-ray powder data
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i50
_journal_page_last               i51
_journal_volume                  60
_journal_year                    2004
_chemical_formula_sum            'C Ca F K O3'
_[local]_cod_chemical_formula_sum_orig 'K Ca C O3 F'
_chemical_name_mineral           KCaF(CO3)
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.10093
_cell_length_b                   5.10093
_cell_length_c                   4.45510
_cell_volume                     100.389
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_U_iso_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
_cod_database_code 9007968