#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002262.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_2002262
_chemical_name_systematic          'Strontium copper nickel oxide (1/.75/.25/2)'
_chemical_formula_structural       'Sr (Cu0.75 Ni0.25) O2'
_chemical_formula_sum            'Cu0.75 Ni0.25 O2 Sr'
_[local]_cod_chemical_formula_sum_orig 'Cu.75 Ni.25 O2 Sr'
_publ_section_title                'Zur Kenntnis von Sr Cu0.75 Ni0.25 O~2~'
loop_
_publ_author_name
  'Mueller-Buschbaum, Hk'
  'Mattausch, H'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    377
_journal_year                      1970
_journal_page_first                144
_journal_page_last                 151
_cell_length_a                     3.565
_cell_length_b                     16.308
_cell_length_c                     3.916
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       227.7
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C m c m'
_symmetry_Int_Tables_number        63
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,-z'
  'x,y,1/2-z'
  'x,-y,1/2+z'
  '-x,-y,-z'
  '-x,y,z'
  '-x,-y,1/2+z'
  '-x,y,1/2-z'
  '1/2+x,1/2+y,z'
  '1/2+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,1/2-y,-z'
  '1/2-x,1/2+y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  Cu2+   2.000
  Ni2+   2.000
  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+   4 c 0. 0.3303 0.25 1.  0 d
  Cu1   Cu2+   4 c 0. 0.0614 0.25 0.75  0 d
  Ni1   Ni2+   4 c 0. 0.0614 0.25 0.25  0 d
  O1    O2-    4 c 0. 0.941 0.25 1.  0 d
  O2    O2-    4 c 0. 0.178 0.25 1.  0 d
_refine_ls_R_factor_all            0.077
_cod_database_code 2002262