data_global
_amcsd_formula_title 'Ba2 Ca Cu F14 Fe2'
loop_
_publ_author_name
'Qiang X'
'Darriet J'
'Tressaud A'
'Soubeyroux J'
'Hagenmuller P'
_journal_name_full 'Materials Research Bulletin'
_journal_volume 23 
_journal_year 1988
_journal_page_first 637
_journal_page_last 645
_publ_section_title
;
 New heteronuclear trimers in fluorides with Usovite-type structure
 _cod_database_code 1008381
;
_database_code_amcsd 0016290
_chemical_formula_sum 'Ba2 Fe2 Ca Cu F14'
_cell_length_a 13.748
_cell_length_b 5.366
_cell_length_c 14.811
_cell_angle_alpha 90
_cell_angle_beta 91.47
_cell_angle_gamma 90
_cell_volume 1092.274
_exptl_crystal_density_diffrn      4.597
_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
Ba1   0.18700  -0.06700   0.11800
Fe1   0.38200   0.47800   0.12700
Ca1   0.00000   0.42800   0.25000
Cu1   0.00000   0.50000   0.00000
F1   0.16300   0.20500   0.27700
F2   0.41400   0.29800   0.01600
F3   0.37500   0.21000   0.20700
F4   0.36600   0.23000   0.54500
F5   0.51100   0.42600   0.65500
F6   0.24800   0.42100   0.09000
F7   0.44900   0.06800   0.38400