#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/75/9007599.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_9007599
loop_
_publ_author_name
'Gopal, R.'
'Calvo, C.'
_publ_section_title
;
 Crystal structure of magnesium divanadate, Mg2V2O7
 Note: There is likely a minor typo in coordinates of O6 because
 bond lengths cannot be reproduced
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2491
_journal_page_last               2493
_journal_paper_doi               10.1107/S0567740874007400
_journal_volume                  30
_journal_year                    1974
_chemical_formula_structural     Mg2V2O7
_chemical_formula_sum            'Mg2 O7 V2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.42
_cell_angle_beta                 106.82
_cell_angle_gamma                130.33
_cell_length_a                   13.767
_cell_length_b                   5.414
_cell_length_c                   4.912
_cell_formula_units_Z            2
_cell_volume                     266.795
_database_code_amcsd             0009520
_exptl_crystal_density_diffrn    3.267
_cod_original_formula_sum        'Mg2 V2 O7'
_cod_database_code               9007599
_amcsd_formula_title             Mg2V2O7
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
Mg1 0.08370 0.37670 0.50950
Mg2 0.41687 0.61870 0.42290
V1 0.63934 -0.07020 0.03708
V2 0.86140 -0.06320 -0.14070
O1 0.70750 -0.20360 -0.10550
O2 0.95230 -0.01240 0.20890
O3 0.76510 0.28930 0.18650
O4 0.93340 0.28960 -0.30440
O5 0.45880 0.03130 0.23520
O6 0.21230 0.37530 0.36360
O7 0.43860 0.32420 0.71090
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009520
