#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/84/1008498.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
loop_
_publ_author_name
'Hodeau, J L'
'Tu, H Y'
'Bordet, P'
'Fournier, T'
'Strobel, P'
'Marezio, M'
'Chandrashekhar, G V'
_publ_section_title              'Structure and twinning of Sr₃CuPtO₆'
_journal_coden_ASTM              ASBSDK
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              1
_journal_page_last               11
_journal_volume                  48
_journal_year                    1992
_chemical_formula_structural     'Sr3 Cu Pt O6'
_chemical_formula_sum            'Cu O6 Pt Sr3'
_chemical_name_systematic        'Tristrontium copper platinum(IV) oxide'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.95(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.317(4)
_cell_length_b                   9.720(4)
_cell_length_c                   6.685(3)
_cell_volume                     605.1
_refine_ls_R_factor_all          0.048
_cod_database_code               1008498
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pt4+ 4.000
Cu2+ 2.000
Sr2+ 2.000
O2- -2.000
