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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/76/9007601.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_9007601
loop_
_publ_author_name
'Sauerbrei, E. E.'
'Faggiani, R.'
'Calvo, C.'
_publ_section_title
;
 Cobalt vanadate, Co2V2O7, and nickel vanadate, Ni2V2O7
 Note: x-coordinate of O7 altered to reproduce reported bond lengths
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2907
_journal_page_last               2909
_journal_paper_doi               10.1107/S0567740874008466
_journal_volume                  30
_journal_year                    1974
_chemical_formula_structural     Ni2V2O7
_chemical_formula_sum            'Ni2 O7 V2'
_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                 99.86
_cell_angle_gamma                90
_cell_length_a                   6.515
_cell_length_b                   8.303
_cell_length_c                   9.350
_cell_formula_units_Z            4
_cell_volume                     498.309
_database_code_amcsd             0009524
_exptl_crystal_density_diffrn    4.415
_cod_original_formula_sum        'Ni2 V2 O7'
_cod_database_code               9007601
_amcsd_formula_title             Ni2V2O7
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
Ni1 0.14645 0.12126 0.46331
Ni2 0.30510 0.38681 0.67944
V1 0.36206 0.76019 0.53125
V2 0.19456 0.01854 0.81303
O1 0.60100 0.13130 0.12420
O2 0.42710 0.12490 0.39400
O3 0.16890 0.36940 0.46080
O4 0.25710 0.36000 0.18080
O5 0.68200 0.37260 0.34860
O6 0.02800 0.08490 0.24970
O7 0.85500 0.37930 0.00820
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009524
