#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002530.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_2002530
_chemical_name_systematic          'Dicalcium lead(IV) oxide'
_chemical_formula_structural       'Ca2 Pb O4'
_chemical_formula_sum              'Ca2 O4 Pb'
_publ_section_title                'Zur Kristallstruktur von Ca2 Pb O4'
loop_
_publ_author_name
  'Teichert, A'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    607
_journal_year                      1992
_journal_page_first                128
_journal_page_last                 130
_cell_length_a                     5.832(1)
_cell_length_b                     9.766(11)
_cell_length_c                     3.375(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       192.2
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P b a m'
_symmetry_Int_Tables_number        55
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  'x,y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pb4+   4.000
  Ca2+   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
  Pb1   Pb4+   2 a 0. 0. 0. 1.  0 d
  Ca1   Ca2+   4 h 0.0730(7) 0.3175(4) 0.5 1.  0 d
  O1    O2-    4 h 0.2379(30) 0.0492(16) 0.5 1.  0 d
  O2    O2-    4 g 0.3611(24) 0.3009(15) 0. 1.  0 d
_refine_ls_R_factor_all            0.044
_cod_database_code 2002530