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#$Date: 2015-10-13 19:27:49 +0300 (Tue, 13 Oct 2015) $
#$Revision: 167457 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/87/1538770.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_1538770
loop_
_publ_author_name
'Klinkert, B.'
'Jansen, M.'
_publ_section_title
;
 Synthese und Kristallstruktur von Pb2 P4 O12 (H2 O)3.
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              85
_journal_page_last               91
_journal_volume                  556
_journal_year                    1988
_chemical_formula_sum            'H6 O15 P4 Pb2'
_chemical_name_systematic        'Pb2 P4 O12 (H2 O)3'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.42
_cell_angle_beta                 100.63
_cell_angle_gamma                114.92
_cell_formula_units_Z            2
_cell_length_a                   7.864
_cell_length_b                   9.144
_cell_length_c                   10.216
_cell_volume                     636.909
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Klinkert_ZAACAB_1988_1054.cif
_cod_data_source_block           H6O15P4Pb2
_cod_original_cell_volume        636.9093
_cod_database_code               1538770
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
O11 O-2 0.155 0.3441 0.1571 1 0.0
Pb1 Pb+2 0.8088 0.0877 0.0813 1 0.0
P3 P+5 0.8643 0.5087 0.2351 1 0.0
O9 O-2 0.7657 0.5296 0.342 1 0.0
Pb2 Pb+2 0.7395 0.7508 0.4922 1 0.0
O12 O-2 0.3887 0.5327 0.3847 1 0.0
O8 O-2 0.9846 0.9169 0.3492 1 0.0
O4 O-2 0.314 0.6486 0.1832 1 0.0
P1 P+5 0.4173 0.8446 0.2413 1 0.0
O10 O-2 0.7621 0.3596 0.1229 1 0.0
O1 O-2 0.2592 0.8718 0.3067 1 0.0
O2 O-2 0.9264 0.6675 0.1683 1 0.0
P4 P+5 0.2369 0.5018 0.261 1 0.0
O14 O-2 0.6395 0.7755 0.9826 1 0.0
O13 O-2 0.5287 0.7739 0.6603 1 0.0
O15 O-2 0.8886 0.2098 0.3893 1 0.0
O7 O-2 0.0673 0.9457 0.1233 1 0.0
O6 O-2 0.438 0.925 0.1228 1 0.0
O5 O-2 0.593 0.8955 0.3547 1 0.0
P2 P+5 0.0539 0.8596 0.2379 1 0.0
O3 O-2 0.0681 0.5269 0.3153 1 0.0
