data_global
_amcsd_formula_title 'BaCuInF7'
loop_
_publ_author_name
'de Kozak A'
'Samouel M'
'Renaudin J'
'Ferey G'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 189 
_journal_year 1989
_journal_page_first 77
_journal_page_last 87
_publ_section_title
;
 Structure of BaCuInF7: The interpretation beween a pyrochlor-like
 edge-sharing network of octahedra and a defect fluorite structure
 _cod_database_code 1000485
;
_database_code_amcsd 0010995
_chemical_formula_sum 'Ba (Cu In) F7'
_cell_length_a 6.843
_cell_length_b 6.843
_cell_length_c 12.001
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 561.967
_exptl_crystal_density_diffrn      5.303
_symmetry_space_group_name_H-M 'I 41/a m d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/4-y,3/4-x,1/4+z'
  '3/4-y,1/4-x,3/4+z'
  '1/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4-x,1/4-z'
  '3/4+y,1/4-x,3/4-z'
  '1/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/2+x,-y,1/2+z'
  '+x,1/2-y,+z'
  '1/2-x,y,1/2-z'
  '-x,1/2+y,-z'
  '1/2+x,y,1/2-z'
  '+x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,1/2-y,+z'
  '1/4+y,1/4+x,3/4+z'
  '3/4+y,3/4+x,1/4+z'
  '1/4-y,1/4-x,3/4-z'
  '3/4-y,3/4-x,1/4-z'
  '1/4-y,1/4+x,3/4-z'
  '3/4-y,3/4+x,1/4-z'
  '1/4+y,1/4-x,3/4+z'
  '3/4+y,3/4-x,1/4+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba1   0.00000   0.25000   0.37500   1.00000
Cu1   0.00000   0.00000   0.00000   0.50000
In1   0.00000   0.00000   0.00000   0.50000
F1   0.28540   0.00000   0.00000   1.00000
F2   0.00000   0.25000   0.09370   1.00000
F3   0.00000   0.75000   0.12500   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 0.02260 0.02260 0.02290 -0.00068 0.00000 0.00000
Cu1 0.00940 0.00840 0.03700 -0.00360 0.00000 0.00000
In1 0.00940 0.00840 0.03700 -0.00360 0.00000 0.00000
F1 0.02130 0.03580 0.03240 -0.01200 0.00000 0.00000
F2 0.03980 0.01750 0.03270 0.00000 0.00000 0.00000
F3 0.05730 0.05730 0.04140 0.00000 0.00000 0.00000