#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (jue 25 de abr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/52/9005252.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9005252
loop_
_publ_author_name
'Redfern, S. A. T.'
'Bell, A. M. T.'
'Henderson, M. B.'
'Schofield, P. F.'
_publ_section_title
;
 Rietveld study of the structural phase transition in the
 sanmartinite (ZnWO4)- cuproscheelite (CuWO4) solid solution
 Sample: Cu.7Zn.3WO4
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              1019
_journal_page_last               1028
_journal_volume                  7
_journal_year                    1995
_chemical_formula_sum            'Cu0.7 O4 W Zn0.3'
_chemical_name_mineral           Cuproscheelite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.33
_cell_angle_beta                 92.08
_cell_angle_gamma                83.90
_cell_length_a                   4.699
_cell_length_b                   5.817
_cell_length_c                   4.887
_cell_formula_units_Z            2
_cell_volume                     132.713
_database_code_amcsd             0006598
_exptl_crystal_density_diffrn    7.806
_cod_original_formula_sum        '(Cu.7 Zn.3) W O4'
_cod_database_code               9005252
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
CuM 0.50020 0.66940 0.24440 0.70000 0.01545
ZnM 0.50020 0.66940 0.24440 0.30000 0.01545
W 0.01570 0.17580 0.25390 1.00000 0.00545
O1 0.25000 0.34900 0.41800 1.00000 0.00253
O2 0.21100 0.87800 0.43600 1.00000 0.00253
O3 0.73700 0.37800 0.09400 1.00000 0.00253
O4 0.78300 0.90800 0.05000 1.00000 0.00253
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006598
