#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/99/1539963.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_1539963
loop_
_publ_author_name
'Worzala, H.'
'Jost, K.H.'
_publ_section_title
;
 On the Mechanism of the Conversion of Lead Dihydrogenphosphate, Pb (H2 P
 O4)2, into Lead Monohydrogenphosphate, Pb H P O4, and Phosphoric Acid
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              165
_journal_page_last               176
_journal_volume                  486
_journal_year                    1982
_chemical_formula_sum            'H4 O8 P2 Pb'
_chemical_name_systematic        'Pb (H2 P O4)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.24
_cell_angle_beta                 96.9
_cell_angle_gamma                108.61
_cell_formula_units_Z            2
_cell_length_a                   7.823
_cell_length_b                   8.315
_cell_length_c                   5.856
_cell_volume                     332.465
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Worzala_ZAACAB_1982_302.cif
_cod_data_source_block           H4O8P2Pb1
_cod_original_cell_volume        332.4646
_cod_original_formula_sum        'H4 O8 P2 Pb1'
_cod_database_code               1539963
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
O6 O-2 0.623 0.186 0.488 1 0.0
O1 O-2 0.084 0.19 -0.013 1 0.0
O5 O-2 0.92 0.135 0.439 1 0.0
Pb1 Pb+2 0.188 0.0768 0.3223 1 0.0
P2 P+5 0.7757 0.1947 0.3313 1 0.0
O3 O-2 0.795 0.47 0.943 1 0.0
O7 O-2 0.669 0.066 0.065 1 0.0
P1 P+5 0.248 0.3493 0.9898 1 0.0
O4 O-2 0.402 0.392 0.224 1 0.0
O8 O-2 0.864 0.392 0.34 1 0.0
O2 O-2 0.319 0.321 0.759 1 0.0
