#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/01/1000124.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_1000124
loop_
_publ_author_name
'Le Bail, A'
'Permer, L'
'Laligant, Y'
_publ_section_title              'Structure of Fe V Mo O7'
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              883
_journal_page_last               892
_journal_volume                  32
_journal_year                    1995
_chemical_formula_structural     'Fe V Mo O7'
_chemical_formula_sum            'Fe Mo O7 V'
_chemical_name_systematic        'Iron(III) vanadium molybdenum oxide'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.174(1)
_cell_angle_beta                 90.260(1)
_cell_angle_gamma                101.273(1)
_cell_formula_units_Z            2
_cell_length_a                   5.5703(1)
_cell_length_b                   6.6741(1)
_cell_length_c                   7.9032(2)
_cell_volume                     286.4
_refine_ls_R_factor_all          0.024
_cod_database_code               1000124
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Fe1 Fe3+ 2 i 0.1702(4) 0.6903(3) 0.5978(3) 1. 0 d
V1 V5+ 2 i 0.6865(5) 0.7588(4) 0.3341(3) 0.94(1) 0 d
Mo1 Mo6+ 2 i 0.6865(5) 0.7588(4) 0.3341(3) 0.06(1) 0 d
Mo2 Mo6+ 2 i 0.2999(3) 0.2103(2) 0.1082(2) 0.94(1) 0 d
V2 V5+ 2 i 0.2999(3) 0.2103(2) 0.1082(2) 0.06(1) 0 d
O1 O2- 2 i 0.896(2) 0.638(1) 0.424(1) 1. 0 d
O2 O2- 2 i 0.212(1) 0.005(1) 0.608(1) 1. 0 d
O3 O2- 2 i 0.769(1) 0.040(1) 0.9057(9) 1. 0 d
O4 O2- 2 i 0.670(1) 0.719(1) 0.097(1) 1. 0 d
O5 O2- 2 i 0.414(2) 0.693(1) 0.410(1) 1. 0 d
O6 O2- 2 i 0.437(2) 0.703(1) 0.764(1) 1. 0 d
O7 O2- 2 i 0.928(2) 0.692(1) 0.796(1) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Fe3+ 3.000
V5+ 5.000
Mo6+ 6.000
O2- -2.000
