#------------------------------------------------------------------------------
#$Date: 2017-09-03 01:45:38 +0300 (Sun, 03 Sep 2017) $
#$Revision: 200134 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/26/2002697.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_2002697
loop_
_publ_author_name
'Müller-Buschbaum, Hk.'
'Szillat, H.'
_publ_section_title
;
 Zur Kristallchemie der Kupfer-Lanthanoid-Oxowolframate: (I)
 triklin-α-CuTbW₂O₈, (II) monoklin-CuInW₂O₈ und (III)
 monoklin-CuYW₂O₈
;
_journal_coden_ASTM              ZAACAB
_journal_issue                   4
_journal_name_full
;
 Zeitschrift für Anorganische und Allgemeine Chemie
;
_journal_page_first              642
_journal_page_last               646
_journal_paper_doi               10.1002/zaac.19946200410
_journal_volume                  620
_journal_year                    1994
_chemical_formula_structural     'Cu Tb W2 O8'
_chemical_formula_sum            'Cu O8 Tb W2'
_chemical_name_systematic        'Copper terbium ditungsten oxide - α'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                115.23(8)
_cell_angle_beta                 116.21(8)
_cell_angle_gamma                56.98(9)
_cell_formula_units_Z            2
_cell_length_a                   7.3080(88)
_cell_length_b                   7.8945(76)
_cell_length_c                   7.1476(82)
_cell_volume                     300.6
_refine_ls_R_factor_all          0.038
_cod_database_code               2002697
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-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
W1 W6+ 2 i 0.1858(1) 0.1154(1) 0.6530(1) 1. 0 d
W2 W6+ 2 i 0.7239(1) 0.2976(1) 0.2646(1) 1. 0 d
Tb1 Tb3+ 2 i 0.1661(1) 0.2773(1) 0.1803(1) 1. 0 d
Cu1 Cu2+ 2 i 0.6495(3) 0.2848(3) 0.7382(3) 1. 0 d
O1 O2- 2 i 0.0838(4) 0.1749(4) 0.3866(4) 1. 0 d
O2 O2- 2 i 0.8152(4) 0.1693(4) 0.5121(4) 1. 0 d
O3 O2- 2 i 0.1835(4) 0.0203(4) 0.8607(4) 1. 0 d
O4 O2- 2 i 0.4785(4) 0.0242(4) 0.7144(4) 1. 0 d
O5 O2- 2 i 0.0779(4) 0.3735(4) 0.8196(4) 1. 0 d
O6 O2- 2 i 0.4403(4) 0.3373(4) 0.1784(4) 1. 0 d
O7 O2- 2 i 0.7830(4) 0.3023(4) 0.0480(4) 1. 0 d
O8 O2- 2 i 0.2909(4) 0.4586(4) 0.5443(4) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
W6+ 5.500
Tb3+ 3.000
Cu2+ 2.000
O2- -2.000
