#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/70/1007065.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_1007065
loop_
_publ_author_name
'Joubert, J C'
'Grenier, J C'
'Durif, A'
_publ_section_title
;
Etude cristallographique de l'orthovanadate de lithium-cuivre.
;
_journal_coden_ASTM              COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first              2472
_journal_page_last               2475
_journal_volume                  260
_journal_year                    1965
_chemical_formula_structural     'V Li Cu O4'
_chemical_formula_sum            'Cu Li O4 V'
_chemical_name_systematic        'Vanadium lithium copper oxide'
_space_group_IT_number           74
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.652(5)
_cell_length_b                   5.810(5)
_cell_length_c                   8.750(5)
_cell_volume                     287.3
_cod_database_code               1007065
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
x,1/2+y,-z
x,1/2-y,z
-x,-y,-z
-x,y,z
-x,1/2-y,z
-x,1/2+y,-z
1/2+x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2+x,-y,1/2+z
1/2-x,1/2-y,1/2-z
1/2-x,1/2+y,1/2+z
1/2-x,-y,1/2+z
1/2-x,y,1/2-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
V1 V5+ 4 e 0. 0.25 0.375 1. 0 d
Cu1 Cu2+ 4 a 0. 0. 0. 1. 0 d
Li1 Li1+ 4 d 0.25 0.25 0.75 1. 0 d
O1 O2- 8 h 0. 0. 0.25 1. 0 d
O2 O2- 8 i 0.25 0.25 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
V5+ 5.000
Cu2+ 2.000
Li1+ 1.000
O2- -2.000
