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#$Date: 2015-01-27 19:58:39 +0000 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/26/2002610.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_2002610
loop_
_publ_author_name
'Rath, M'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Zur Kristallstruktur von Silber-Lanthanoid-Oxomolybdaten Ag Ln Mo2 O8:
Einkristalluntersuchungen an Ag Sm Mo2 O8 und Ag Yb Mo2 O8 mit einer
Notiz ueber mikrokristallines Material fuer Ln= Y, La
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              193
_journal_page_last               196
_journal_paper_doi               10.1016/0925-8388(93)90165-J
_journal_volume                  198
_journal_year                    1993
_chemical_formula_structural     '(Ag Sm) (Mo O4)2'
_chemical_formula_sum            'Ag Mo2 O8 Sm'
_chemical_name_systematic        'Silver samarium bis(molybdate)'
_space_group_IT_number           82
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.2634(5)
_cell_length_b                   5.2634(5)
_cell_length_c                   11.6032(9)
_cell_volume                     321.4
_refine_ls_R_factor_all          0.058
_cod_database_code               2002610
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
y,-x,-z
-y,x,-z
1/2+x,1/2+y,1/2+z
1/2-x,1/2-y,1/2+z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,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
Ag1 Ag1+ 2 d 0.5 0. 0.25 0.5 0 d
Sm1 Sm3+ 2 d 0.5 0. 0.25 0.5 0 d
Ag2 Ag1+ 2 b 0.5 0.5 0. 0.5 0 d
Sm2 Sm3+ 2 b 0.5 0.5 0. 0.5 0 d
Mo1 Mo6+ 2 a 0. 0. 0. 1. 0 d
Mo2 Mo6+ 2 c 0. 0.5 0.25 1. 0 d
O1 O2- 8 g 0.2543(14) 0.1499(14) 0.0774(12) 1. 0 d
O2 O2- 8 g 0.2233(14) 0.6494(14) 0.1606(12) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ag1+ 1.000
Sm3+ 3.000
Mo6+ 6.000
O2- -2.000