#------------------------------------------------------------------------------
#$Date: 2024-05-06 09:39:41 +0200 (Mon 06 de May de 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/93/9009314.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_9009314
loop_
_publ_author_name
'Nord, A. G.'
_publ_section_title
;
 Possible disorder in the thortveitite-type Mn2V2O7 structure
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              283
_journal_page_last               288
_journal_volume                  1984
_journal_year                    1984
_chemical_formula_structural     Mn2V2O7
_chemical_formula_sum            'Mn2 O7 V2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.60
_cell_angle_gamma                90
_cell_length_a                   6.719
_cell_length_b                   8.719
_cell_length_c                   4.966
_cell_formula_units_Z            2
_cell_volume                     282.766
_database_code_amcsd             0014788
_exptl_crystal_density_diffrn    3.802
_cod_original_formula_sum        'Mn2 V2 O7'
_cod_database_code               9009314
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mn 0.00000 0.31100 0.50000 0.01013
V 0.23900 0.00000 0.90300 -0.02913
O1 0.00000 0.00000 0.00000 0.03546
O2 0.41000 0.00000 0.21900 0.00507
O3 0.23100 0.16100 0.71400 0.01393
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014788
