#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/16/2101674.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_2101674
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 2/c'
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            'O4 W Zn'
_[local]_cod_chemical_formula_sum_orig 'O4 W1 Zn1'
_chemical_formula_weight         313.22
_symmetry_cell_setting           monoclinic
_cell_angle_alpha                90
_cell_angle_beta                 90.6321(9)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.69263(5)
_cell_length_b                   5.72129(7)
_cell_length_c                   4.92805(5)
_cell_volume                     132.300(2)
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.227
_[local]_cod_data_source_file    ha0150.cif
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x,-y,1/2+z
-x,+y,-1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Zn 0.5 0.6833(4) 0.25
W 0.0 0.1823(5) 0.25
O1 0.2547(3) 0.3772(3) 0.4005(3)
O2 0.2171(3) 0.8955(3) 0.4360(3)
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 . 2.026(2) no
Zn O1 . 2.227(3) no
Zn O1 2_666 2.089(2) no
W O2 . 2.133(3) no
W O2 2_566 1.915(2) no
W O1 . 1.790(2) no
_cod_database_code 2101674