data_global
_amcsd_formula_title 'Fe1.75 O11 Pb V4.25'
loop_
_publ_author_name
'Mentre O'
'Dhaussy A'
'Abraham F'
'Steinfink H'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 130 
_journal_year 1997
_journal_page_first 223
_journal_page_last 233
_publ_section_title
;
 Effect of iron substitution on the structural, electric, and magnetic
 properties in R-type Pb Fex V6-x O11, a frustrated system
 _cod_database_code 1004123
;
_database_code_amcsd 0013923
_chemical_formula_sum 'Pb V4.25 Fe1.75 O11'
_cell_length_a 5.742
_cell_length_b 5.742
_cell_length_c 13.507
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 385.670
_exptl_crystal_density_diffrn      6.006
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb1   0.33333   0.66667   0.22140   1.00000
V1   0.50940   0.49060  -0.00030   1.00000
V2   0.00000   0.00000   0.14590   0.75000
Fe1   0.00000   0.00000   0.14590   0.25000
V3   0.00000   0.00000   0.35220   0.50000
Fe2   0.00000   0.00000   0.35220   0.50000
Fe3   0.66667   0.33333   0.27030   1.00000
O1   0.17300   0.82700   0.08100   1.00000
O2   0.15300   0.84700   0.75000   1.00000
O3   0.17300   0.82700   0.42100   1.00000
O4   0.66667   0.33333   0.42000   1.00000
O5   0.66667   0.33333   0.08600   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
Pb1 0.01620 0.01620 0.01400 0.00810 0.00000 0.00000
V1 0.00850 0.00850 0.04070 0.00420 0.00000 0.00000
V2 0.00020 0.00020 0.00550 0.00010 0.00000 0.00000
Fe1 0.00020 0.00020 0.00550 0.00010 0.00000 0.00000
V3 0.00480 0.00480 0.00290 0.00120 0.00150 -0.00150
Fe2 0.00480 0.00480 0.00290 0.00120 0.00150 -0.00150
Fe3 0.00720 0.00720 0.00100 0.00360 0.00000 0.00000