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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/1/53/44/1534448.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_1534448
loop_
_publ_author_name
'Achary, S.N.'
'Tyagi, A.K.'
'Koehler, J.'
_publ_section_title
;
 Preparation, structure and properties of V2 Ge O4 F2 - chains of V O4 F2
 octahedra in the first V(III) metallate fluoride
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              74
_journal_page_last               78
_journal_volume                  165
_journal_year                    2002
_chemical_formula_sum            'F2 Ge O4 V2'
_chemical_name_systematic        'V2 (Ge O4) F2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.336
_cell_length_b                   8.898
_cell_length_c                   4.912
_cell_volume                     408.048
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Achary_JSSCBI_2002_346.cif
_cod_data_source_block           F2Ge1O4V2
_cod_original_cell_volume        408.0483
_cod_original_formula_sum        'F2 Ge1 O4 V2'
_cod_database_code               1534448
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
O1 O-2 0.2507 0.25 0.4505 1 0.0
V1 V+3 0.1334 0.0829 0.6011 1 0.0
Ge1 Ge+4 0.4415 0.25 0.398 1 0.0
O2 O-2 0.0293 0.25 0.787 1 0.0
O3 O-2 0.996 0.088 0.2901 1 0.0
F1 F-1 0.7492 0.0598 0.5923 1 0.0
