#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/80/1008036.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_1008036
loop_
_publ_author_name
'Klein, S'
'Weitzel, H'
_publ_section_title
;
Pernod - ein Programm zur Verfeinerung von Kristall-Strukturparametern
aus Neutronenbeugungspulverdiagrammen
;
_journal_coden_ASTM              JACGAR
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              54
_journal_page_last               59
_journal_paper_doi               10.1107/S0021889875009521
_journal_volume                  8
_journal_year                    1975
_chemical_formula_structural     'CU W O4'
_chemical_formula_sum            'Cu O4 W'
_chemical_name_systematic        'COPPER TUNGSTATE'
_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                91.63(1)
_cell_angle_beta                 92.44(1)
_cell_angle_gamma                82.79(1)
_cell_formula_units_Z            2
_cell_length_a                   4.6964(9)
_cell_length_b                   5.8287(10)
_cell_length_c                   4.8736(7)
_cell_volume                     132.2
_refine_ls_R_factor_all          0.059
_cod_database_code               1008036
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
Cu1 Cu2+ 2 i 0.4962(9) 0.6621(7) 0.2362(9) 1. 0 d
W1 W6+ 2 i 0.0166(13) 0.1745(9) 0.2670(12) 1. 0 d
O1 O2- 2 i 0.2481(13) 0.3556(10) 0.4171(14) 1. 0 d
O2 O2- 2 i 0.2243(10) 0.8769(8) 0.4324(11) 1. 0 d
O3 O2- 2 i 0.7293(11) 0.3859(9) 0.0956(12) 1. 0 d
O4 O2- 2 i 0.7845(11) 0.9036(9) 0.0512(11) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cu2+ 2.000
W6+ 6.000
O2- -2.000
