#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/66/1536668.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_1536668
loop_
_publ_author_name
'Worzala, H.'
'Howie, R.A.'
'Jost, K.H.'
_publ_section_title
;
 Zur Bildung von Arsenatphosphaten Pb(H2(As,P)O4)2 und PbH(As,P)O4 und zur
 Verteilung von As und P auf die Anionenpositionen im Pb(H2(As,P)O4)2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              213
_journal_page_last               217
_journal_volume                  606
_journal_year                    1991
_chemical_formula_sum            'As0.72 H4 O8 P1.28 Pb'
_chemical_name_systematic        'Pb (H2 (As0.36 P0.64) 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                108.46
_cell_angle_beta                 96.75
_cell_angle_gamma                108.51
_cell_formula_units_Z            2
_cell_length_a                   7.859
_cell_length_b                   8.409
_cell_length_c                   5.91
_cell_volume                     340.828
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Worzala_ZAACAB_1991_29.cif
_cod_data_source_block           H4As0.72O8P1.28Pb1
_cod_original_cell_volume        340.8281
_cod_original_formula_sum        'H4 As0.72 O8 P1.28 Pb1'
_cod_database_code               1536668
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
O4 O-2 0.4052 0.3941 0.2346 1 0.0
As1 As+5 0.2482 0.3486 0.9899 0.4 0.0
P1 P+5 0.2482 0.3486 0.9899 0.6 0.0
O5 O-2 0.9236 0.1352 0.446 1 0.0
O3 O-2 0.7974 0.465 0.9424 1 0.0
O6 O-2 0.6186 0.1843 0.4904 1 0.0
O7 O-2 0.6674 0.0617 0.0584 1 0.0
O8 O-2 0.8642 0.3949 0.3377 1 0.0
P2 P+5 0.7751 0.1953 0.3323 0.66 0.0
As2 As+5 0.7751 0.1953 0.3323 0.34 0.0
Pb1 Pb+2 0.1875 0.0763 0.3217 1 0.0
O2 O-2 0.3242 0.3193 0.753 1 0.0
O1 O-2 0.0798 0.1875 -0.0068 1 0.0
