data_global
_chemical_name_mineral 'Huanghoite-(Sm)'
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 1000470
;
_database_code_amcsd 0012564
_chemical_formula_sum 'Sm Ba F O6 C2'
_cell_length_a 5.016
_cell_length_b 5.016
_cell_length_c 37.94398
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 826.777
_exptl_crystal_density_diffrn      5.142
_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
Sm1   0.00000   0.00000   0.74500
Ba1   0.00000   0.00000   0.50000
Ba2   0.00000   0.00000   0.00000
F1   0.00000   0.00000   0.68510
O1   0.18610   0.81390   0.06080
O2   0.14790   0.85210   0.87340
C1   0.00000   0.00000   0.39340
C2   0.00000   0.00000   0.12560
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
Sm1 0.00580 0.00580 0.00650 0.00290 0.00000 0.00000
Ba1 0.00840 0.00840 0.00930 0.00420 0.00000 0.00000
Ba2 0.01290 0.01290 0.00660 0.00650 0.00000 0.00000
F1 0.01050 0.01050 0.01460 0.00750 0.00040 -0.00040
O1 0.02200 0.02200 0.00720 0.01100 0.00000 0.00000
O2 0.01480 0.01480 0.01270 0.01110 -0.00030 0.00030
C1 0.00750 0.00750 0.00720 0.00380 0.00000 0.00000
C2 0.00770 0.00770 0.00810 0.00380 0.00000 0.00000