###############################################################################
# Qureshi, N.;Ressouche, E.;Mukhin, A.A.;Ivanov, V.Yu.;Barilo, S.N.;\
# Shiryaev, S.V.;Skumryev, V. (2013)
# Physical Review B: Condensed Matter and Materials Physics 88, \
# 174412-1-174412-8
# Stabilization of multiferroic spin cycloid in Ni3 V2 O8 by light Co doping
# 
# CIF by ICSD-for-WWW,  Copyright 2003 FIZ-Karlsruhe & A.W.Hewat (hewat@ill.fr)
# NOT TO BE PUBLISHED IN ANY FORM. See https://icsd.ill.fr/conditions.html
###############################################################################

data_192911-ICSD
_database_code_ICSD                192911
_audit_creation_date               2015-02-01
_chemical_name_systematic
'Nickel cobalt vanadium oxide (2.56/0.44/2/8)'
_chemical_formula_structural       
'(Ni0.85 Co0.15)3 (V2 O8)'
_chemical_formula_sum              
'Co0.45 Ni2.55 O8 V2'
_publ_section_title                
'Co0.45 Ni2.55 O8 V2'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Physical Review B: Condensed Matter and ' 2013 88 174412-1 174412-8 PRBMDO
loop_
_publ_author_name
Qureshi, N.;Ressouche, E.;Mukhin, A.A.;Ivanov, V.Yu.;Barilo, S.N.;\
Shiryaev, S.V.;Skumryev, V.
_cell_length_a                     5.9362(4)
_cell_length_b                     11.3896(6)
_cell_length_c                     8.2289(6)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       556.3605
_cell_formula_units_Z              4.000
_symmetry_space_group_name_H-M     'C m c a'
_symmetry_Int_Tables_number        64
_refine_ls_R_factor_all            0.0505
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
   1   '-x, -y+1/2, z+1/2'
   2   '-x, y+1/2, -z+1/2'
   3   '-x, y, z'
   4   '-x, -y, -z'
   5   'x, y+1/2, -z+1/2'
   6   'x, -y+1/2, z+1/2'
   7   'x, -y, -z'
   8   'x, y, z'
   9   '-x+1/2, -y, z+1/2'
  10   '-x+1/2, y, -z+1/2'
  11   '-x+1/2, y+1/2, z'
  12   '-x+1/2, -y+1/2, -z'
  13   'x+1/2, y, -z+1/2'
  14   'x+1/2, -y, z+1/2'
  15   'x+1/2, -y+1/2, -z'
  16   'x+1/2, y+1/2, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ni2+     2.
Co2+     2.
Ni2+     2.
Co2+     2.
V5+     5.
O2-     -2.
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_B_iso_or_equiv
_atom_site_occupancy
Co1 Co 4 a 0 0 0 0.1(1) 0.5(2)
Ni1 Ni 4 a 0 0 0 0.1(1) 0.5(2)
Co2 Co 8 e 0.250 0.1302(1) 0.250 0.1(1) 0.5(2)
Ni2 Ni 8 e 0.250 0.1302(1) 0.250 0.1(1) 0.5(2)
V1 V 8 f 0 0.3760 0.1196 0.2 1.
O1 O 8 f 0 0.2490(3) 0.229(5) 0.2(1) 1.
O2 O 8 f 0 0.0011(3) 0.2445(6) 0.2(1) 1.
O3 O 16 g 0.2655(4) 0.1190(2) 0.9996(4) 0.3(1) 1.
#End of data_192911-ICSD

