#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/25/2002528.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_2002528
loop_
_publ_author_name
'Mueller-Buschbaum, Hk'
'Krueger, T'
_publ_section_title
;
Ein Beitrag zur Kristallstruktur von Cu Y W2 O8, Cu Ho W2 O8 und Cu Yb
W2 O8
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              52
_journal_page_last               56
_journal_paper_doi               10.1002/zaac.19926070111
_journal_volume                  607
_journal_year                    1992
_chemical_formula_structural     'Cu Yb W2 O8'
_chemical_formula_sum            'Cu O8 W2 Yb'
_chemical_name_systematic        'Copper ytterbium ditungsten octaoxide'
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.36(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.948(2)
_cell_length_b                   5.824(2)
_cell_length_c                   5.008(1)
_cell_volume                     289.7
_refine_ls_R_factor_all          0.048
_cod_database_code               2002528
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
1/2-x,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
Cu1 Cu1+ 2 f 0.25 0.2754(11) 0.75 1. 0 d
W1 W6+ 4 g 0.0141(1) 0.1798(2) 0.2510(2) 1. 0 d
Yb1 Yb3+ 2 e 0.25 0.6952(3) 0.25 1. 0 d
O1 O2- 4 g 0.8863(20) 0.3672(34) 0.0965(38) 1. 0 d
O2 O2- 4 g 0.4039(21) 0.8884(34) 0.0529(39) 1. 0 d
O3 O2- 4 g 0.8875(21) 0.9175(35) 0.0329(39) 1. 0 d
O4 O2- 4 g 0.3655(20) 0.3767(34) 0.0957(39) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cu1+ 1.000
W6+ 6.000
Yb3+ 3.000
O2- -2.000
