#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/99/1539962.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_1539962
loop_
_publ_author_name
'Worzala, H.'
'Jost, K.H.'
_publ_section_title
;
 Die Kristallstruktur des Bleimonohydrogentriphosphats, Pb2 H P3 O10
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              36
_journal_page_last               46
_journal_volume                  445
_journal_year                    1978
_chemical_formula_sum            'H O10 P3 Pb2'
_chemical_name_systematic        'Pb2 H P3 O10'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                135.1
_cell_angle_beta                 105.8
_cell_angle_gamma                67.4
_cell_formula_units_Z            1
_cell_length_a                   7.77
_cell_length_b                   5.97
_cell_length_c                   6.93
_cell_volume                     209.486
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Worzala_ZAACAB_1978_383.cif
_cod_data_source_block           H1O10P3Pb2
_cod_original_cell_volume        209.4859
_cod_original_formula_sum        'H1 O10 P3 Pb2'
_cod_database_code               1539962
loop_
_symmetry_equiv_pos_as_xyz
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
O4 O-2 0.5 0.689 0.924 1 0.0
P3 P+5 0.843 0.732 0.466 1 0.0
O2 O-2 0.71 0.565 0.414 1 0.0
O5 O-2 0.928 0.647 0.26 1 0.0
P2 P+5 0.158 0.074 0.467 1 0.0
O9 O-2 0.329 0.275 0.565 1 0.0
O6 O-2 0.072 0.073 0.259 1 0.0
O10 O-2 0.67 0.099 0.566 1 0.0
Pb2 Pb+2 0.8031 0.8483 0.9999 1 0.0
Pb1 Pb+2 0.1969 0.1571 0.0001 1 0.0
P1 P+5 0.501 0.34 0.773 1 0.0
O8 O-2 0.928 0.927 0.741 1 0.0
O3 O-2 0.501 0.204 0.881 1 0.0
O7 O-2 0.072 0.353 0.74 1 0.0
O1 O-2 0.292 0.783 0.414 1 0.0
