data_global
_amcsd_formula_title 'Ba2Cu5F14'
loop_
_publ_author_name
'de Kozak A'
'Samouel M'
'Renaudin J'
'Ferey G'
_journal_name_full 'Revue de Chimie Minerale'
_journal_volume 23 
_journal_year 1986
_journal_page_first 352
_journal_page_last 361
_publ_section_title
;
 Fluorures complexes de cuivre II. V. Structure cristalline de alpha-Ba2Cu5F14
 _cod_database_code 1000411
;
_database_code_amcsd 0015399
_chemical_formula_sum 'Ba2 Cu5 F14'
_cell_length_a 18.170
_cell_length_b 6.652
_cell_length_c 10.328
_cell_angle_alpha 90
_cell_angle_beta 117.10
_cell_angle_gamma 90
_cell_volume 1111.264
_exptl_crystal_density_diffrn      5.131
_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   0.16410   0.61480   0.13000
Cu1   0.17490   0.11800   0.99140
Cu2   0.03590   0.14180   0.14070
Cu3   0.00000   0.64560   0.25000
F1   0.96750   0.42890   0.35670
F2   0.89120   0.34780   0.60300
F3   0.77620   0.14350   0.63560
F4   0.92520   0.13060   0.11650
F5   0.75050   0.08220   0.89700
F6   0.96540   0.14800   0.87270
F7   0.85900   0.15640   0.35700
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 0.01590 0.00430 0.01640 0.00030 0.01040 -0.00090
Cu1 0.01350 0.00460 0.01400 0.00150 0.01170 0.00080
Cu2 0.01390 0.00230 0.01580 0.00030 0.01120 0.00070
Cu3 0.01080 0.00400 0.01330 0.00000 0.00930 0.00000
F1 0.02880 0.00860 0.02550 0.00150 0.01980 0.00010
F2 0.01320 0.00410 0.02380 -0.00640 0.00790 -0.00380
F3 0.02290 0.00490 0.01760 -0.00220 0.01050 -0.00180
F4 0.01160 0.01550 0.01600 0.00250 0.00950 0.00100
F5 0.01590 0.00550 0.02220 0.00090 0.01080 0.00080
F6 0.03200 0.00100 0.03050 0.00010 0.02660 0.00030
F7 0.01450 0.02690 0.02300 0.00260 0.01960 0.00190