#------------------------------------------------------------------------------
#$Date: 2014-07-11 17:04:56 +0100 (Fri, 11 Jul 2014) $
#$Revision: 120072 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/22/2002205.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_2002205
_chemical_name_systematic          'Strontium dichromium oxide'
_chemical_formula_structural       'Sr Cr2 O4'
_chemical_formula_sum              'Cr2 O4 Sr'
_publ_section_title
;
Ein neuer Bautyp zur Formel Me2+ Me3+ O4. Sr Cr2 O4
;
_space_group_IT_number           59
_symmetry_space_group_name_Hall  'P 2 2ab -1ab'
_symmetry_space_group_name_H-M   'P m m n :1'
_[local]_cod_cif_authors_sg_H-M  'P m m n S'
loop_
_publ_author_name
  'Pausch, H'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    405
_journal_year                      1974
_journal_page_first                1
_journal_page_last                 7
_cell_length_a                     11.643
_cell_length_b                     5.881
_cell_length_c                     5.115
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       350.2
_cell_formula_units_Z              4
_exptl_crystal_density_meas        4.81
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2-x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
  '-x,y,z'
  'x,-y,z'
  '1/2+x,1/2+y,-z'
  '1/2+x,1/2-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  Cr3+   3.000
  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+   2 b 0. 0.5 0.1401 1.  0 d
  Sr2   Sr2+   2 a 0.5 0.5 0.4523 1.  0 d
  Cr1   Cr3+   4 f 0.257 0. 0.4951 1.  0 d
  Cr2   Cr3+   4 c 0.25 0.25 0. 1.  0 d
  O1    O2-    4 f 0.34 0. 0.166 1.  0 d
  O2    O2-    4 f 0.165 0. 0.83 1.  0 d
  O3    O2-    8 g 0.155 0.248 0.333 1.  0 d
_refine_ls_R_factor_all            0.069
_cod_database_code 2002205
_journal_paper_doi 10.1002/zaac.19744050102