#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/52/9005253.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_9005253
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: x=0.55
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              1019
_journal_page_last               1028
_journal_volume                  7
_journal_year                    1995
_chemical_formula_sum            'Cu0.45 O4 W Zn0.55'
_chemical_name_mineral           Sanmartinite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.84
_cell_angle_beta                 91.52
_cell_angle_gamma                85.87
_cell_length_a                   4.689
_cell_length_b                   5.77
_cell_length_c                   4.899
_cell_formula_units_Z            2
_cell_volume                     132.144
_database_code_amcsd             0006599
_exptl_crystal_density_diffrn    7.852
_cod_original_formula_sum        '(Cu.45 Zn.55) W O4'
_cod_database_code               9005253
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 0.50430 0.68160 0.24450 0.45000 0.01165
ZnM 0.50430 0.68160 0.24450 0.55000 0.01165
W 0.00900 0.17830 0.25250 1.00000 0.00532
O1 0.24900 0.33900 0.40900 1.00000 0.00253
O2 0.19500 0.88000 0.44000 1.00000 0.00253
O3 0.74100 0.37100 0.09600 1.00000 0.00253
O4 0.78400 0.89300 0.05900 1.00000 0.00253
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006599
