#------------------------------------------------------------------------------
#$Date: 2012-02-03 19:16:24 +0200 (Fri, 03 Feb 2012) $
#$Revision: 32112 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/16/2101686.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2101686
loop_
_publ_author_name
'Schofield, P. F.'
'Knight, K. S.'
'Redfern, S. A. T.'
'Cressey, G.'
_publ_section_title
;
 Distortion Characteristics Across the Structural Phase Transition in
 (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              102
_journal_page_last               112
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Cu0.7 O4 W Zn0.3'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.678(4)
_cell_angle_beta                 92.073(4)
_cell_angle_gamma                96.099(4)
_cell_formula_units_Z            2
_cell_length_a                   4.7013(4)
_cell_length_b                   5.8207(4)
_cell_length_c                   4.8890(2)
_cell_volume                     132.918(16)
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.227
_[local]_cod_data_source_file    ha0150.cif
_[local]_cod_data_source_block   30
_[local]_cod_chemical_formula_sum_orig 'Cu0.70 O4 W1 Zn0.30'
_cod_original_cell_volume        132.917(16)
_cod_database_code               2101686
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Zn 0.5042(12) 0.6669(7) 0.2551(18)
W -0.0160(14) 0.1722(9) 0.2465(14)
O1 0.2614(12) 0.3821(10) 0.4016(12)
O2 0.2170(10) 0.9099(10) 0.4466(13)
O3 0.7469(14) 0.3626(11) 0.0775(14)
O4 0.7819(11) 0.8754(10) 0.0694(12)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Zn O2 . 2.294(8) no
Zn O1 . 2.041(8) no
Zn O3 . 2.402(8) no
Zn O4 . 1.924(8) no
Zn O1 2_666 2.006(8) no
Zn O3 2_665 1.975(8) no
W O1 . 1.844(8) no
W O2 1_545 2.166(5) no
W O3 1_455 1.818(8) no
W O4 1_445 2.073(8) no
W O2 2_566 1.829(8) no
W O4 2_665 1.969(8) no