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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/70/1007029.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_1007029
loop_
_publ_author_name
'Masse, R'
'Guitel, J C'
'Durif, A'
_publ_section_title
;
Structure cristalline du monophosphate  Ag Hg~2~ P O~4~. Donnees
cristallographiques sur Ag Hg~2~ As O~4~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              369
_journal_page_last               373
_journal_paper_doi               10.1016/0022-4596(78)90086-5
_journal_volume                  23
_journal_year                    1978
_chemical_formula_structural     'Ag Hg2 P O4'
_chemical_formula_sum            'Ag Hg2 O4 P'
_chemical_name_systematic        'Silver dimercury(I) phosphate'
_space_group_IT_number           55
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.256(2)
_cell_length_b                   8.614(2)
_cell_length_c                   6.152(2)
_cell_volume                     490.5
_refine_ls_R_factor_all          0.046
_cod_database_code               1007029
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
1/2+x,1/2-y,-z
1/2-x,1/2+y,-z
-x,-y,-z
x,y,-z
1/2-x,1/2+y,z
1/2+x,1/2-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Hg1 Hg1+ 8 i 0.03050(8) 0.25148(15) 0.21180(11) 1. 0 d
Ag1 Ag1+ 4 g 0.3501(3) 0.0292(3) 0. 1. 0 d
P1 P5+ 4 h 0.2857(9) 0.4556(8) 0.5 1. 0 d
O1 O2- 8 i 0.194(1) 0.050(1) 0.286(2) 1. 0 d
O2 O2- 4 h 0.132(2) 0.384(2) 0.5 1. 0 d
O3 O2- 4 h 0.405(2) 0.326(2) 0.5 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Hg1+ 1.000
Ag1+ 1.000
P5+ 5.000
O2- -2.000