#------------------------------------------------------------------------------
#$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002561.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_2002561
_chemical_name_systematic
;
Calcium copper platinum(IV) oxide (3.5/0.5/1/6)
;
_chemical_formula_structural       'Ca3.5 Cu0.5 Pt O6'
_chemical_formula_sum            'Ca3.5 Cu0.5 O6 Pt'
_[local]_cod_chemical_formula_sum_orig 'Ca3.5 Cu.5 O6 Pt'
_publ_section_title
;
Ein neues Erdakalimetall-Oxoplatinate-Cuprate Ca3.5 Cu0.5 Pt O6
;
loop_
_publ_author_name
  'Tomaszewska, A'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    617
_journal_year                      1992
_journal_page_first                23
_journal_page_last                 26
_cell_length_a                     9.0743(64)
_cell_length_b                     9.2527(67)
_cell_length_c                     6.4840(62)
_cell_angle_alpha                  90
_cell_angle_beta                   91.448(48)
_cell_angle_gamma                  90
_cell_volume                       544.2
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 2 1'
_symmetry_Int_Tables_number        5
_symmetry_cell_setting             monoclinic
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'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pt4+   4.000
  Ca2+   2.000
  Cu2+   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 c 0.2521(2) 0.2500(1) 0.2456(3) 1.  0 d
  Ca1   Ca2+   4 c 0.3200(6) 0.0766(6) 0.8661(7) 1.  0 d
  Ca2   Ca2+   4 c 0.6855(7) 0.9394(7) 0.6382(8) 1.  0 d
  Ca3   Ca2+   2 b 0. 0.1211(8) 0.5 1.  0 d
  Ca4   Ca2+   2 a 0. 0.8990(7) 0. 1.  0 d
  Ca5   Ca2+   2 a 0. 0.2422(9) 0. 1.  0 d
  Cu1   Cu2+   2 b 0.5 0.2034(7) 0.5 1.  0 d
  O1    O2-    4 c 0.2361(9) 0.3233(9) 0.949(1) 1.  0 d
  O2    O2-    4 c 0.7872(9) 0.6926(9) 0.539(1) 1.  0 d
  O3    O2-    4 c 0.3787(9) 0.4247(9) 0.341(1) 1.  0 d
  O4    O2-    4 c 0.642(1) 0.574(1) 0.185(1) 1.  0 d
  O5    O2-    4 c 0.0553(9) 0.3478(9) 0.300(1) 1.  0 d
  O6    O2-    4 c 0.9360(9) 0.6447(9) 0.209(1) 1.  0 d
_refine_ls_R_factor_all            0.055