#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001328.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1001328
_chemical_name_systematic          'Lead rhenate'
_chemical_formula_structural       'Pb (Re O4)2'
_chemical_formula_sum              'O8 Pb Re2'
_publ_section_title
;
Structure cristalline du perrhenate de plomb Pb (Re O~4~)~2~
;
loop_
_publ_author_name
  'Picard, J-P'
  'Baud, G'
  'Besse, J-P'
  'Chevalier, R'
  'Gasperin, M'
_journal_name_full                 'Journal of the Less-Common Metals'
_journal_coden_ASTM                JCOMAH
_journal_volume                    96
_journal_year                      1984
_journal_page_first                171
_journal_page_last                 176
_cell_length_a                     11.276(5)
_cell_length_b                     11.276(5)
_cell_length_c                     4.593(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       505.8
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'P 3 1 m'
_symmetry_Int_Tables_number        157
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'y,x,z'
  '-x,y-x,z'
  'x-y,-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Re7+   7.000
  Pb2+   2.000
  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
  Re1   Re7+   3 c 0.3805(3) 0. -0.0171(16) 1.  0 d
  Re2   Re7+   3 c 0.7128(2) 0. 0.4828(16) 1.  0 d
  Pb1   Pb2+   1 a 0. 0. 0. 1.  0 d
  Pb2   Pb2+   2 b 0.3333 0.6667 0.4708(16) 1.  0 d
  O1    O2-    3 c 0.2268(57) 0. 0.1188(141) 1.  0 d
  O2    O2-    6 d 0.5219(42) 0.1400(41) 0.0893(92) 1.  0 d
  O3    O2-    3 c 0.7274(71) 0. 0.1215(165) 1.  0 d
  O4    O2-    6 d 0.7147(47) 0.1554(49) 0.6109(102) 1.  0 d
  O5    O2-    3 c 0.8504(50) 0. 0.6065(130) 1.  0 d
  O6    O2-    3 c 0.3947(82) 0. 0.6066(191) 1.  0 d
_refine_ls_R_factor_all            0.066