#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/27/2002714.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_2002714
loop_
_publ_author_name
'Osterloh, D'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Ein Beitrag ueber die Kristallchemie von Ni3 As V O8 und Co3 As V O8
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              255
_journal_page_last               258
_journal_paper_doi               10.1016/0925-8388(94)90045-0
_journal_volume                  206
_journal_year                    1994
_chemical_formula_structural     'Co3 (As V) O8'
_chemical_formula_sum            'As Co3 O8 V'
_chemical_name_systematic        'Tricobalt arsenic(V) vanadium oxide'
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.021(4)
_cell_length_b                   11.456(3)
_cell_length_c                   8.266(2)
_cell_volume                     570.2
_refine_ls_R_factor_all          0.049
_cod_database_code               2002714
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
x,1/2-y,1/2+z
x,1/2+y,1/2-z
-x,-y,-z
-x,y,z
-x,1/2+y,1/2-z
-x,1/2-y,1/2+z
1/2+x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,-y,1/2+z
1/2+x,y,1/2-z
1/2-x,1/2-y,-z
1/2-x,1/2+y,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
Co1 Co2+ 4 a 0. 0. 0. 1. 0 d
Co2 Co2+ 8 e 0.25 0.1345(2) 0.25 1. 0 d
As1 As5+ 8 f 0. 0.3776(2) 0.1174(3) 0.5 0 d
V1 V5+ 8 f 0. 0.3776(2) 0.1174(3) 0.5 0 d
O1 O2- 8 f 0. 0.252(1) 0.231(1) 1. 0 d
O2 O2- 8 f 0. 0.999(1) 0.250(1) 1. 0 d
O3 O2- 16 g 0.270(1) 0.120(1) 0.997(1) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Co2+ 2.000
As5+ 5.000
V5+ 5.000
O2- -2.000
