#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/28/2002870.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_2002870
_chemical_name_systematic
;
Strontium nickel arsenate vanadate (1/2/1.38/.62)
;
_chemical_formula_structural       'Sr Ni2 (As O4)1.38 (V O4).62'
_chemical_formula_sum            'As1.38 Ni2 O8 Sr V0.62'
_[local]_cod_chemical_formula_sum_orig 'As1.38 Ni2 O8 Sr V.62'
_publ_section_title
;
Oxometallate mit partiell salzartigem Anion: Die Kristallchemie von Ba
Ni2 (M O4)(2-x) (V O4)x (M= As (x=0.67) und P (x=0.64)) und Sr Ni2 (As
O4)(2-x) (V O4)x (x=0.62)
;
loop_
_publ_author_name
  'Mueller-Buschbaum, Hk'
  'Scheske, St'
_journal_name_full                 'Journal of the Less-Common Metals'
_journal_volume                    171
_journal_year                      1991
_journal_page_first                313
_journal_page_last                 320
_cell_length_a                     12.1595(10)
_cell_length_b                     12.1595(10)
_cell_length_c                     8.2241(28)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1216.0
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'I 41 c d'
_symmetry_Int_Tables_number        110
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2+z'
  'y,1/2-x,1/4+z'
  'y,1/2+x,3/4+z'
  '-x,-y,z'
  'x,-y,1/2+z'
  '-y,1/2+x,1/4+z'
  '-y,1/2-x,3/4+z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2+y,z'
  '1/2+y,-x,3/4+z'
  '1/2+y,x,1/4+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,1/2-y,z'
  '1/2-y,x,3/4+z'
  '1/2-y,-x,1/4+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  Ni2+   2.000
  As5+   5.000
  V5+    5.000
  O2-   -2.000
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
  Sr1   Sr2+   8 a 0. 0. 0. 1.  0 d
  Ni1   Ni2+  16 b 0.3296(6) 0.3327(7) 0.2441(8) 1.  0 d
  As1   As5+  16 b 0.2536(4) 0.0776(1) 0.1172(9) 0.69  0 d
  V1    V5+   16 b 0.2536(4) 0.0776(1) 0.1172(9) 0.31  0 d
  O1    O2-   16 b 0.163(2) 0.498(2) 0.028(3) 1.  0 d
  O2    O2-   16 b 0.337(2) 0.678(2) 0.500(2) 1.  0 d
  O3    O2-   16 b 0.152(2) 0.669(2) 0.742(2) 1.  0 d
  O4    O2-   16 b 0.346(2) 0.496(3) 0.225(3) 1.  0 d
_refine_ls_R_factor_all            0.036
_cod_database_code 2002870