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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/14/4031479.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4031479
loop_
_publ_author_name
'Murashova, E.V.'
'Velikodnyi, Yu.A.'
'Trunov, V.K.'
_publ_section_title
;
 The structure of the double pyrovanadate K2 Mg V2 O7
;
_journal_name_full
;
Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)
;
_journal_page_first              904
_journal_page_last               905
_journal_volume                  33
_journal_year                    1988
_chemical_formula_sum            'K2 Mg O7 V2'
_chemical_name_systematic        'K2 Mg (V2 O7)'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.38
_cell_length_b                   8.38
_cell_length_c                   11.36
_cell_volume                     797.749
_citation_journal_id_ASTM        RJICAQ
_cod_data_source_file            Murashova_RJICAQ_1988_1743.cif
_cod_data_source_block           K2Mg1O7V2
_cod_original_cell_volume        797.7492
_cod_original_formula_sum        'K2 Mg1 O7 V2'
_cod_database_code               4031479
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y,x,-z
-x+1/2,y+1/2,-z+1/2
-y,-x,-z
-x,-y,-z
y-1/2,-x-1/2,-z-1/2
x,y,-z
-y-1/2,x-1/2,-z-1/2
-x-1/2,y-1/2,z-1/2
-y,-x,z
x-1/2,-y-1/2,z-1/2
y,x,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
K2 K+1 0.1799 0.1799 0 1 0.0
O1 O-2 0 0 0.1534 1 0.0
V1 V+5 0.358 0.358 0.2888 1 0.0
O2 O-2 0.1759 0.4097 0.3429 1 0.0
Mg1 Mg+2 0.5 0 0.25 1 0.0
K1 K+1 0.3527 -0.3527 0 1 0.0
O3 O-2 0.36 0.36 0.1436 1 0.0
