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#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/11/9011142.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_9011142
loop_
_publ_author_name
'Shannon, R. D.'
'Calvo, C.'
_publ_section_title
;
 Crystal structure of Cu5V2O10
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1338
_journal_page_last               1345
_journal_paper_doi               10.1107/S0567740873004474
_journal_volume                  29
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu5 O10 V2'
_chemical_name_mineral           Stoiberite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.09
_cell_angle_gamma                90
_cell_length_a                   8.393
_cell_length_b                   6.0652
_cell_length_c                   16.156
_cell_formula_units_Z            4
_cell_volume                     781.772
_database_code_amcsd             0009480
_exptl_crystal_density_diffrn    4.925
_cod_original_formula_sum        'Cu5 V2 O10'
_cod_database_code               9011142
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1 0.06052 -0.05305 0.10166
Cu2 0.26391 0.24380 0.48448
Cu3 0.16051 0.18317 0.28887
Cu4 0.04069 0.45348 0.09186
Cu5 0.37081 0.22379 0.17954
V1 0.43036 0.71053 0.09887
V2 0.21585 0.69313 0.32889
O1 0.40260 0.19610 0.30480
O2 0.49100 0.25460 0.48200
O3 0.29300 0.92130 0.09830
O4 0.32080 0.45820 0.08490
O5 0.40330 0.68530 0.31610
O6 0.17520 0.46100 0.38670
O7 0.18780 0.93710 0.37780
O8 0.07600 0.68540 0.22360
O9 0.13450 0.21310 0.16680
O10 0.03150 0.21160 0.47640
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009480
