#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/28/2002889.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
loop_
_publ_author_name
'Keller, H L'
'Meier, K H'
'Mueller-Buschbaum, H'
_publ_section_title              'Zur Kristallstruktur von Sr Pb O3'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (2,1947-32,1977)
;
_journal_page_first              277
_journal_page_last               278
_journal_volume                  30
_journal_year                    1975
_chemical_formula_structural     'Sr (Pb O3)'
_chemical_formula_sum            'O3 Pb Sr'
_chemical_name_systematic        'Strontium plumbate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.964
_cell_length_b                   8.32
_cell_length_c                   5.86
_cell_volume                     290.8
_exptl_crystal_density_meas      7.76
_refine_ls_R_factor_all          0.061
_cod_database_code               2002889
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
Pb4+ 4.000
O2- -2.000
