#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002889.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_2002889
_chemical_name_systematic          'Strontium plumbate'
_chemical_formula_structural       'Sr (Pb O3)'
_chemical_formula_sum              'O3 Pb Sr'
_publ_section_title                'Zur Kristallstruktur von Sr Pb O3'
loop_
_publ_author_name
  'Keller, H L'
  'Meier, K H'
  'Mueller-Buschbaum, H'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (2,1947-32,1977)
;
_journal_volume                    30
_journal_year                      1975
_journal_page_first                277
_journal_page_last                 278
_cell_length_a                     5.964
_cell_length_b                     8.32
_cell_length_c                     5.86
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       290.8
_cell_formula_units_Z              4
_exptl_crystal_density_meas        7.76
_symmetry_space_group_name_H-M     'P n m a'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2-z'
  '-x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  Pb4+   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
  Sr1   Sr2+   4 c 0.4547 0.25 0.9879 1.  0 d
  Pb1   Pb4+   4 a 0. 0. 0. 1.  0 d
  O1    O2-    8 d 0.296 0.947 0.2046 1.  0 d
  O2    O2-    4 c 0.0346 0.25 0.1129 1.  0 d
_refine_ls_R_factor_all            0.061
_cod_database_code 2002889