#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/27/2002747.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_2002747
loop_
_publ_author_name
'Mueller-Buschbaum, Hk'
'Gallinat, S'
_publ_section_title
;
Zur Kristallchemie von Cu Dy Mo2 O8 und Cu Yb Mo2 O8
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_page_first              240
_journal_page_last               244
_journal_volume                  51
_journal_year                    1996
_chemical_formula_structural     'Cu Yb (Mo O4)2'
_chemical_formula_sum            'Cu Mo2 O8 Yb'
_chemical_name_systematic        'Copper(I) ytterbium bis(molybdate)'
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.094(3)
_cell_length_b                   9.629(6)
_cell_length_c                   14.467(9)
_cell_volume                     1406.1
_refine_ls_R_factor_all          0.0629
_cod_database_code               2002747
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,-z
-x,1/2+y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2+y,z
x,1/2-y,1/2+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
Mo1 Mo6+ 8 c 0.22081(9) 0.00276(10) 0.44505(7) 1. 0 d
Mo2 Mo6+ 8 c 0.60537(9) 0.33215(11) 0.84651(8) 1. 0 d
Yb1 Yb3+ 8 c 0.46807(5) 0.22249(5) 0.60503(4) 1. 0 d
Cu1 Cu1+ 8 c 0.1831(2) 0.8112(2) 0.30453(12) 1. 0 d
O1 O2- 8 c 0.3742(8) 0.0948(8) 0.0221(6) 1. 0 d
O2 O2- 8 c 0.6178(8) 0.1024(8) 0.1249(6) 1. 0 d
O3 O2- 8 c 0.9104(8) 0.0077(8) 0.8324(6) 1. 0 d
O4 O2- 8 c 0.1778(7) 0.1075(8) 0.8738(5) 1. 0 d
O5 O2- 8 c 0.0746(7) 0.2055(7) 0.0375(5) 1. 0 d
O6 O2- 8 c 0.7354(8) 0.7771(8) 0.8207(6) 1. 0 d
O7 O2- 8 c 0.5045(7) 0.7539(7) 0.2305(5) 1. 0 d
O8 O2- 8 c 0.1724(8) 0.8859(8) 0.0051(6) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mo6+ 6.000
Yb3+ 3.000
Cu1+ 1.000
O2- -2.000
