#------------------------------------------------------------------------------
#$Date: 2016-04-05 10:44:00 +0300 (Tue, 05 Apr 2016) $
#$Revision: 181512 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/30/1543031.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_1543031
loop_
_publ_author_name
'Winiarski, M.J.'
'Szreder, N.A.'
'Barczynski, R.J.'
'Klimczuk, T.'
_publ_section_title
;
 Synthesis, single crystal growth and properties of Sr5Pb3ZnO12
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              63
_journal_page_last               68
_journal_paper_doi               10.1016/j.jallcom.2014.07.156
_journal_volume                  617
_journal_year                    2014
_chemical_formula_structural     'Pb3 Sr5 Zn O12'
_chemical_formula_sum            'O12 Pb3 Sr5 Zn'
_chemical_name_systematic
;

Pentastrontium trilead(IV) zinc dodecaoxide
;
_space_group_IT_number           189
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   10.1277(1)
_cell_length_b                   10.1277(1)
_cell_length_c                   3.53488(4)
_cell_volume                     313.998(6)
_refine_ls_R_factor_all          0.1049
_cod_data_source_file            531-Zn.cif
_cod_data_source_block           Sr5Pb3ZnO12
_cod_original_cell_volume        313.997(6)
_cod_original_formula_sum        'Sr5 Pb3 Zn O12'
_cod_database_code               1543031
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-x, -x+y, -z'
2 'x-y, -y, -z'
3 'y, x, -z'
4 '-x, -x+y, z'
5 'x-y, -y, z'
6 'y, x, z'
7 '-x+y, -x, -z'
8 '-y, x-y, -z'
9 'x, y, -z'
10 '-x+y, -x, z'
11 '-y, x-y, z'
12 'x, y, 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_B_iso_or_equiv
Sr1 Sr2+ 2 d 0.3333 0.6667 0.5 1. 0 1.71(18)
Sr2 Sr2+ 3 g 0.6965(4) 0 0.5 1. 0 0.83(11)
Pb1 Pb4+ 3 f 0.3377(2) 0 0 1. 0 1.09(2)
Zn1 Zn2+ 2 e 0 0 0.2751(51) 0.5 0 0.68(55)
O1 O2- 3 g 0.1779 0 0.5 1. 0 0
O2 O2- 3 g 0.4617 0 0.5 1. 0 0
O3 O2- 6 j 0.2380 0.4428 0 1. 0 0
