#------------------------------------------------------------------------------
#$Date: 2010-01-30 14:59:17 +0100 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008498.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_1008498
_chemical_name_systematic          'Tristrontium copper platinum(IV) oxide'
_chemical_formula_structural       'Sr3 Cu Pt O6'
_chemical_formula_sum              'Cu O6 Pt Sr3'
_publ_section_title                'Structure and twinning of Sr~3~CuPtO~6~'
loop_
_publ_author_name
  'Hodeau, J L'
  'Tu, H Y'
  'Bordet, P'
  'Fournier, T'
  'Strobel, P'
  'Marezio, M'
  'Chandrashekhar, G V'
_journal_name_full                 'Acta Crystallographica B (39,1983-)'
_journal_coden_ASTM                ASBSDK
_journal_volume                    48
_journal_year                      1992
_journal_page_first                1
_journal_page_last                 11
_cell_length_a                     9.317(4)
_cell_length_b                     9.720(4)
_cell_length_c                     6.685(3)
_cell_angle_alpha                  90
_cell_angle_beta                   91.95(2)
_cell_angle_gamma                  90
_cell_volume                       605.1
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pt4+   4.000
  Cu2+   2.000
  Sr2+   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
  Pt1   Pt4+   4 d 0.25 0.25 0.5 1.  0 d
  Cu1   Cu2+   4 e 0. 0.2987(4) 0.25 1.  0 d
  Sr1   Sr2+   4 e 0. 0.8968(2) 0.25 1.  0 d
  Sr2   Sr2+   8 f 0.3145(2) 0.0727(2) 0.1211(2) 1.  0 d
  O1    O2-    8 f 0.288(1) 0.815(1) 0.285(2) 1.  0 d
  O2    O2-    8 f 0.058(1) 0.341(1) 0.537(2) 1.  0 d
  O3    O2-    8 f 0.141(1) 0.073(1) 0.427(2) 1.  0 d
_refine_ls_R_factor_all            0.048
_cod_database_code 1008498