data_global
_amcsd_formula_title 'Cu6 Fe0.9 O19 V6'
loop_
_publ_author_name
'Permer L'
'Laligant Y'
'Ferey G'
'Calage Y'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 107 
_journal_year 1993
_journal_page_first 539
_journal_page_last 546
_publ_section_title
;
 Crystal structure, magnetic, and Moessbauer studies of
 Cu6Fe0.9V6O19: a compound with relaxation effect
 _cod_database_code 1000354
;
_database_code_amcsd 0013787
_chemical_formula_sum 'Cu6 Fe.9 V6 O19'
_cell_length_a 12.9399
_cell_length_b 12.9399
_cell_length_c 7.1275
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1033.546
_exptl_crystal_density_diffrn      5.018
_symmetry_space_group_name_H-M 'R -3'
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'
  '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
_atom_site_occupancy
Cu1   0.04190   0.76270   0.09970   1.00000
Fe1   0.00000   0.00000   0.00000   0.90000
V1   0.15520   0.02040   0.32920   1.00000
O1   0.48010   0.57680   0.16990   1.00000
O2   0.45660   0.68370   0.48230   1.00000
O3   0.00000   0.00000   0.50000   1.00000
O4   0.59800   0.70090   0.85460   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
Cu1 0.01640 0.01520 0.01890 0.01090 -0.00050 0.00000
Fe1 0.01110 0.01110 0.00780 0.00550 0.00000 0.00000
V1 0.00720 0.00910 0.00820 0.00430 0.00040 0.00010
O1 0.00910 0.01060 0.01010 0.00680 0.00220 0.00180
O2 0.00830 0.00960 0.00960 0.00400 0.00000 -0.00020
O3 0.00790 0.00700 0.00810 0.00400 0.00000 0.00000
O4 0.01110 0.01570 0.00910 0.00800 0.00150 -0.00050