#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (jue 25 de abr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/52/9005254.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_9005254
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=0.85
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              1019
_journal_page_last               1028
_journal_volume                  7
_journal_year                    1995
_chemical_formula_sum            'Cu0.15 O4 W Zn0.85'
_chemical_name_mineral           Sanmartinite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.85
_cell_angle_gamma                90
_cell_length_a                   4.687
_cell_length_b                   5.726
_cell_length_c                   4.920
_cell_formula_units_Z            2
_cell_volume                     132.027
_database_code_amcsd             0006600
_exptl_crystal_density_diffrn    7.872
_cod_original_formula_sum        '(Cu.15 Zn.85) W O4'
_cod_database_code               9005254
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,1/2+z
-x,y,1/2-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 0.50000 0.68580 0.25000 0.15000 0.00975
ZnM 0.50000 0.68580 0.25000 0.85000 0.00975
W 0.00000 0.18210 0.25000 1.00000 0.00659
O1 0.21400 0.11000 0.93300 1.00000 0.00253
O2 0.25700 0.36150 0.40400 1.00000 0.00253
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006600
