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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004472.cif $
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#
# 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_9004472
_chemical_name 'Kukharenkoite-(Ce)'
loop_
_publ_author_name
'Krivovichev S V'
'Filatov S K'
'Zaitsev A N'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 36
_journal_year 1998
_journal_page_first 809
_journal_page_last 815
_publ_section_title
;
 The crystal structure of kukharenkoite-(Ce), Ba2REE(CO3)3F,and an interpretatio
 based on cation-coordinated F tetrahedra
;
_chemical_formula_sum 'Ba2 Ce F C3 O9'
_cell_length_a 13.374
_cell_length_b 5.1011
_cell_length_c 6.653
_cell_angle_alpha 90
_cell_angle_beta 106.56
_cell_angle_gamma 90
_cell_volume 435.056
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Ba1   0.07490   0.25000   0.29000   0.01750
Ba2   0.41615   0.25000   0.68880   0.01700
Ce   0.76096   0.25000   0.98840   0.01460
F   0.92830   0.25000   0.91100   0.02700
C1   0.72590   0.25000   0.50900   0.01800
C2   0.42680   0.25000   0.17400   0.01900
C3   0.12730   0.25000   0.79400   0.01900
O1   0.18260   0.25000   0.99100   0.02500
O2   0.69960   0.25000   0.31000   0.03000
O3   0.48990   0.25000   0.35800   0.02400
O4   0.39930   0.03100   0.07700   0.02600
O5   0.26250   0.96500   0.38600   0.02600
O6   0.89690   0.97000   0.30000   0.02500