#------------------------------------------------------------------------------
#$Date: 2015-10-05 16:14:25 +0300 (Mon, 05 Oct 2015) $
#$Revision: 160346 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/38/8103818.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_8103818
loop_
_publ_author_name
'Krivovichev, S.V.'
'Burns, P.C.'
_publ_section_title
;
 Crystal chemistry of lead oxide phosphates: crystal structures of Pb4 O
 (P O4)2, Pb8 O5 (P O4)2 and Pb10 (P O4)6 O
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              357
_journal_page_last               365
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            'O9 P2 Pb4'
_chemical_name_systematic        'Pb4 O (P O4)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.549
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.4894
_cell_length_b                   7.1402
_cell_length_c                   14.4077
_cell_volume                     944.907
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Krivovichev_ZEKRDZ_2003_1125.cif
_cod_data_source_block           O9P2Pb4
_cod_original_cell_volume        944.9072
_cod_database_code               8103818
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Pb2 Pb+2 0.32936 0.77099 0.33315 1 0.0
O8 O-2 0.2954 0.4187 0.2845 1 0.0
O2 O-2 0.1789 0.7802 0.4778 1 0.0
Pb3 Pb+2 0.31627 0.99743 0.08535 1 0.0
P1 P+5 0.031 0.7907 0.4016 1 0.0
O5 O-2 0.5016 0.2603 0.4074 1 0.0
O6 O-2 0.9198 0.6654 0.4288 1 0.0
O1 O-2 0.9702 0.9925 0.3891 1 0.0
P2 P+5 0.3702 0.2311 0.3193 1 0.0
Pb1 Pb+2 0.96626 0.8005 0.14659 1 0.0
O7 O-2 0.0687 0.724 0.307 1 0.0
Pb4 Pb+2 0.28377 0.51132 0.11158 1 0.0
O4 O-2 0.2549 0.1012 0.3446 1 0.0
O9 O-2 0.4308 0.1371 0.2402 1 0.0
O3 O-2 0.2384 0.786 0.174 1 0.0
