data_global
_chemical_name_mineral 'Kukharenkoite-(Ce)'
loop_
_publ_author_name
'Mercier N'
'Leblanc M'
_journal_name_full 'European Journal of Solid State and Inorganic Chemistry'
_journal_volume 30 
_journal_year 1993
_journal_page_first 195
_journal_page_last 205
_publ_section_title
;
 Crystal growth and structures of rare earth fluorocarbonates: I.
 Structures of BaSm(CO3)2F and Ba3La2(CO3)5F2: revision of
 the corresponding huanghoite and cebaite type structures
 _cod_database_code 1000320
;
_database_code_amcsd 0012563
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ba2 Ce F C3 O9'
_cell_length_a 13.365
_cell_length_b 5.097
_cell_length_c 6.638
_cell_angle_alpha 90
_cell_angle_beta 106.45
_cell_angle_gamma 90
_cell_volume 433.681
_exptl_crystal_density_diffrn      4.700
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_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
Ba1   0.07510   0.25000   0.29030
Ba2   0.41660   0.25000   0.69040
Ce1   0.76130   0.25000  -0.01190
F1   0.92770   0.25000   0.91080
C1   0.72670   0.25000   0.51240
C2   0.42780   0.25000   0.17350
C3   0.12760   0.25000   0.79600
O1   0.18360   0.25000  -0.00860
O2   0.70100   0.25000   0.31090
O3   0.49070   0.25000   0.35690
O4   0.39810   0.03120   0.07600
O5   0.26310   0.96680   0.38450
O6   0.89590  -0.02940   0.29760
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ba1 0.00810 0.01020 0.00850 0.00000 0.00250 0.00000
Ba2 0.01010 0.00840 0.00780 0.00000 0.00220 0.00000
Ce1 0.00740 0.00640 0.00730 0.00000 0.00230 0.00000
F1 0.01230 0.02010 0.01340 0.00000 0.00360 0.00000
C1 0.00940 0.01010 0.01150 0.00000 0.00190 0.00000
C2 0.00920 0.00950 0.01140 0.00000 0.00240 0.00000
C3 0.00920 0.01320 0.01000 0.00000 0.00480 0.00000
O1 0.01320 0.01520 0.01120 0.00000 0.00220 0.00000
O2 0.01600 0.02290 0.01050 0.00000 0.00430 0.00000
O3 0.01520 0.01640 0.01000 0.00000 0.00080 0.00000
O4 0.01400 0.00920 0.01740 -0.00390 0.00420 -0.00250
O5 0.01840 0.00900 0.01540 -0.00060 0.00050 0.00290
O6 0.01840 0.01010 0.01440 -0.00130 0.00260 -0.00200