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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/1/00/13/1001372.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_1001372
loop_
_publ_author_name
'Rulmont, A'
'Tarte, P'
'Foumakoye, G'
'Fransolet, A M'
'Choisnet, J'
_publ_section_title
;
The disordered Spinel Na Ag Mo O~4~ and Its High Temperature, Ordered
Orthorhombic Polymorph
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              18
_journal_page_last               25
_journal_paper_doi               10.1016/0022-4596(88)90188-0
_journal_volume                  76
_journal_year                    1988
_chemical_formula_structural     'Na Ag Mo O4'
_chemical_formula_sum            'Ag Mo Na O4'
_chemical_name_systematic        'Sodium silver molybenum oxide -II'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.384(1)
_cell_length_b                   7.1220(8)
_cell_length_c                   5.5933(6)
_cell_volume                     413.7
_refine_ls_R_factor_all          0.079
_cod_database_code               1001372
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2-z
-x,1/2+y,-z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2+y,1/2+z
x,1/2-y,z
1/2+x,y,1/2-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
Na1 Na1+ 4 a 0.5 0.5 0.5 0.94 0 d
Ag1 Ag1+ 4 a 0.5 0.5 0.5 0.06 0 d
Ag2 Ag1+ 4 c 0.1384(5) 0.25 0.509(5) 0.94 0 d
Na2 Na1+ 4 c 0.1384(5) 0.25 0.509(5) 0.06 0 d
Mo1 Mo6+ 4 c 0.316(1) 0.25 0.0009(80) 1. 0 d
O1 O2- 4 c 0.3559(58) 0.25 0.2965(68) 1. 0 d
O2 O2- 4 c 0.1595(44) 0.25 -0.068(11) 1. 0 d
O3 O2- 8 d 0.3760(29) -0.9532(47) -0.1254(39) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
Ag1+ 1.000
Mo6+ 6.000
O2- -2.000