data_global
_amcsd_formula_title 'Ba2 Ca1.17 Co0.83 F14 Fe2'
loop_
_publ_author_name
'Le Lirzin A'
'Quiang X'
'Darriet J'
'Soubeyroux J'
'Kaiser V'
'Pebler J'
'Babel D'
_journal_name_full 'European Journal of Solid State and Inorganic Chemistry'
_journal_volume 27 
_journal_year 1990
_journal_page_first 791
_journal_page_last 803
_publ_section_title
;
 Structural and magnetic properties of 1D bimetallic chains in
 Ba2CaCoFe2F14 and Ba2CaCoCr2F14
 _cod_database_code 1008493
;
_database_code_amcsd 0016386
_chemical_formula_sum 'Ba2 Ca1.17 Co.83 Fe2 F14'
_cell_length_a 13.780
_cell_length_b 5.395
_cell_length_c 14.970
_cell_angle_alpha 90
_cell_angle_beta 91.22
_cell_angle_gamma 90
_cell_volume 1112.664
_exptl_crystal_density_diffrn      4.466
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba1   0.19190   0.95370   0.12000   1.00000
Ca1   0.00000   0.44100   0.25000   1.00000
Ca2   0.00000   0.50000   0.00000   0.17000
Co1   0.00000   0.50000   0.00000   0.83000
Fe1   0.38170   0.49300   0.12350   1.00000
F1   0.16140   0.20880   0.27860   1.00000
F2   0.41670   0.31690   0.01670   1.00000
F3   0.37430   0.21550   0.20240   1.00000
F4   0.37510   0.20440   0.54840   1.00000
F5   0.51040   0.41130   0.65790   1.00000
F6   0.24970   0.44380   0.08560   1.00000
F7   0.44300   0.08410   0.38000   1.00000
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 0.00960 0.01310 0.01340 0.00160 -0.00020 -0.00100
Ca1 0.01220 0.01020 0.00840 0.00000 0.00120 0.00000
Ca2 0.00950 0.00890 0.00910 0.00030 0.00040 -0.00200
Co1 0.00950 0.00890 0.00910 0.00030 0.00040 -0.00200
Fe1 0.00840 0.00850 0.00930 -0.00030 -0.00080 0.00050
F1 0.01540 0.01640 0.01250 -0.00210 0.00300 0.00070
F2 0.02140 0.01650 0.01290 0.00460 -0.00190 -0.00180
F3 0.01780 0.01440 0.02190 0.00360 0.00300 0.00790
F4 0.01870 0.01320 0.01650 -0.00150 0.00270 -0.00510
F5 0.00970 0.01990 0.01770 0.00120 -0.00050 0.00740
F6 0.01190 0.02240 0.03630 -0.00130 -0.00810 -0.00110
F7 0.01780 0.02080 0.01270 0.00310 0.00090 -0.00280