data_global
_chemical_name_mineral 'Huanghoite-(Ce)'
loop_
_publ_author_name
'Yang Z M'
'Pertlik F'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1993 
_journal_year 1993
_journal_page_first 163
_journal_page_last 171
_publ_section_title
;
 Huanghoite-(Ce), BaCe(CO3)2F, from Khibina, Kola peninsula, Russia:
 Redetermination of the crystal structure with a discussion on space group symmetry
;
_database_code_amcsd 0014866
_chemical_compound_source 'Khibina, Kola Peninsula, Russia'
_chemical_formula_sum 'Ba Ce C2 O6 F'
_cell_length_a 5.072
_cell_length_b 5.072
_cell_length_c 38.46
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 856.837
_exptl_crystal_density_diffrn      4.843
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1   0.00000   0.00000   0.00000
Ba2   0.00000   0.00000   0.50000
Ce   0.00000   0.00000   0.24487
C1   0.00000   0.00000   0.10820
C2   0.00000   0.00000   0.37340
O1   0.14750   0.85250   0.10650
O2   0.47820   0.52180   0.03940
F   0.00000   0.00000   0.18380
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 0.03460 0.03460 0.02490 0.01730 0.00000 0.00000
Ba2 0.04940 0.04940 0.02030 0.02470 0.00000 0.00000
Ce 0.02830 0.02830 0.02110 0.01420 0.00000 0.00000
C1 0.04300 0.04300 0.01600 0.02200 0.00000 0.00000
C2 0.04500 0.04500 0.02100 0.02300 0.00000 0.00000
O1 0.03400 0.03400 0.04300 0.02100 0.00300 -0.00300
O2 0.05500 0.05500 0.03600 0.03800 0.00100 -0.00100
F 0.05000 0.05000 0.04000 0.02500 0.00000 0.00000