#------------------------------------------------------------------------------
#$Date: 2017-09-03 00:26:58 +0300 (Sun, 03 Sep 2017) $
#$Revision: 200131 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/27/2002706.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_2002706
loop_
_publ_author_name
'Müller-Buschbaum, Hk.'
'Sedello, O.'
_publ_section_title
;
 Die Kristallstrukturen von α-CuGdW₂O₈ und CuNdMo₂O₈
;
_journal_coden_ASTM              JALCEU
_journal_issue                   1-2
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              237
_journal_page_last               241
_journal_paper_doi               10.1016/0925-8388(94)90097-3
_journal_volume                  204
_journal_year                    1994
_chemical_formula_structural     'Cu Gd (W2 O8)'
_chemical_formula_sum            'Cu Gd O8 W2'
_chemical_name_systematic        'Copper(I) gadolinium ditungstate - 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                115.06(2)
_cell_angle_beta                 116.18(2)
_cell_angle_gamma                56.97(2)
_cell_formula_units_Z            2
_cell_length_a                   7.3439(32)
_cell_length_b                   7.9118(34)
_cell_length_c                   7.1503(33)
_cell_volume                     303.2
_refine_ls_R_factor_all          0.039
_cod_database_code               2002706
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 0.1864(1) 0.1137(1) 0.6524(1) 1. 0 d
W2 W6+ 2 i 0.7246(1) 0.2982(1) 0.2652(1) 1. 0 d
Gd1 Gd3+ 2 i 0.1659(1) 0.2783(1) 0.1790(1) 1. 0 d
Cu1 Cu1+ 2 i 0.6567(3) 0.2882(3) 0.7405(3) 1. 0 d
O1 O2- 2 i 0.083(2) 0.177(1) 0.389(1) 1. 0 d
O2 O2- 2 i 0.815(2) 0.171(1) 0.513(2) 1. 0 d
O3 O2- 2 i 0.185(2) 0.019(1) 0.861(1) 1. 0 d
O4 O2- 2 i 0.480(2) 0.021(1) 0.718(2) 1. 0 d
O5 O2- 2 i 0.079(2) 0.369(2) 0.816(2) 1. 0 d
O6 O2- 2 i 0.438(2) 0.346(2) 0.180(2) 1. 0 d
O7 O2- 2 i 0.780(2) 0.305(2) 0.047(2) 1. 0 d
O8 O2- 2 i 0.295(2) 0.456(2) 0.546(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
W6+ 6.000
Gd3+ 3.000
Cu1+ 1.000
O2- -2.000
