data_1004115
_chemical_name_systematic          'Lead vanadium oxide (1/6/11)'
_chemical_formula_structural       'Pb V6 O11'
_chemical_formula_sum              'O11 Pb V6'
_publ_section_title
;
New mixed valence compounds in the Pb - V - O system synthesis and
crystal structure of hollandite-related Pb1.32 V8.35 O16.7 and R-type
hexagonal ferrite Pb V6 O11
;
loop_
_publ_author_name
  'Mentre, O'
  'Abraham, F'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    125
_journal_year                      1996
_journal_page_first                91
_journal_page_last                 101
_cell_length_a                     5.754(1)
_cell_length_b                     5.754(1)
_cell_length_c                     13.267(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       380.4
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63 m c'
_symmetry_Int_Tables_number        186
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pb2+   2.000
  V3+    3.000
  V4+    4.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Pb1   Pb2+   2 b 0.3333 0.6667 0.2231(6) 1.  0 d
  V1    V3+    6 c 0.5112(2) 0.4888(2) -0.0021(6) 1.  0 d
  V2    V3+    2 a 0. 0. 0.1447(7) 1.  0 d
  V3    V4+    2 a 0. 0. 0.3501(7) 1.  0 d
  V4    V4+    2 b 0.6667 0.3333 0.2633(7) 1.  0 d
  O1    O2-    6 c 0.1764(9) 0.8236(9) 0.0776(9) 1.  0 d
  O2    O2-    6 c 0.1516(10) 0.8484(10) 0.75 1.  0 d
  O3    O2-    6 c 0.1713(8) 0.8287(8) 0.4169(9) 1.  0 d
  O4    O2-    2 b 0.6667 0.3333 0.4109(15) 1.  0 d
  O5    O2-    2 b 0.6667 0.3333 0.0936(14) 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Pb1   0.0080(2) 0.0040(1) 0. 0.0080(2) 0. 0.00106(3)
  V1    0.0021(4) 0.0004(5) 0.0001(1) 0.0021(4) -0.0001(1) 0.00049(6)
  V2    0.0027(7) 0.00135(35) 0. 0.0027(7) 0. 0.0005(2)
  V3    0.0023(7) 0.00115(35) 0. 0.0023(7) 0. 0.0004(1)
  V4    0.0026(8) 0.0013(4) 0. 0.0026(8) 0. 0.0010(2)
_refine_ls_R_factor_all            0.035