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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/02/1000284.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_1000284
loop_
_publ_author_name
'Laligant, Y'
'Ferey, G'
'Hervieu, M'
'Raveau, B'
_publ_section_title
;
Synthesis and Single-Crystal Refinement of Ba₂ Y₂ Cu Pt O₈
;
_journal_coden_ASTM              EULEEJ
_journal_name_full               'Europhysics Letters'
_journal_page_first              1023
_journal_page_last               1029
_journal_paper_doi               10.1209/0295-5075/4/9/012
_journal_volume                  4
_journal_year                    1987
_chemical_formula_structural     'Ba2 Y2 Cu Pt O8'
_chemical_formula_sum            'Ba2 Cu O8 Pt Y2'
_chemical_name_systematic
;
Dibarium diyttrium copper platinum(IV) oxide
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.207(2)
_cell_length_b                   5.680(2)
_cell_length_c                   10.321(2)
_cell_volume                     774.2
_refine_ls_R_factor_all          0.05
_cod_database_code               1000284
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2-z
-x,1/2+y,-z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2+y,1/2+z
x,1/2-y,z
1/2+x,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 c 0.6936 0.25 0.4669 1. 0 d
Ba1 Ba2+ 4 c 0.7064 0.25 0.8134(1) 1. 0 d
Ba2 Ba2+ 4 c 0.4226 0.25 0.4087(1) 1. 0 d
Cu1 Cu2+ 4 c 0.4606(1) 0.25 0.7312(1) 1. 0 d
Y1 Y3+ 4 c 0.4173(1) 0.25 0.0157(1) 1. 0 d
Y2 Y3+ 4 c 0.1423(1) 0.25 0.3125(1) 1. 0 d
O1 O2- 8 d 0.4929(4) 0.4921(9) 0.8624(5) 1. 0 d
O2 O2- 8 d 0.1143(4) 0.0064(9) 0.1373(5) 1. 0 d
O3 O2- 4 c 0.7954(5) 0.25 0.3147(7) 1. 0 d
O4 O2- 8 d 0.2826(4) 0.0093 0.9426(5) 1. 0 d
O5 O2- 4 c 0.5892(6) 0.25 0.6081(7) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pt4+ 4.000
Ba2+ 2.000
Cu2+ 2.000
Y3+ 3.000
O2- -2.000
