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#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: file:///home/coder/svn-repositories/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
_chemical_name_systematic
;
Dibarium diyttrium copper platinum(IV) oxide
;
_chemical_formula_structural       'Ba2 Y2 Cu Pt O8'
_chemical_formula_sum              'Ba2 Cu O8 Pt Y2'
_publ_section_title
;
Synthesis and Single-Crystal Refinement of Ba~2~ Y~2~ Cu Pt O~8~
;
loop_
_publ_author_name
  'Laligant, Y'
  'Ferey, G'
  'Hervieu, M'
  'Raveau, B'
_journal_name_full                 'Europhysics Letters'
_journal_coden_ASTM                EULEEJ
_journal_volume                    4
_journal_year                      1987
_journal_page_first                1023
_journal_page_last                 1029
_cell_length_a                     13.207(2)
_cell_length_b                     5.680(2)
_cell_length_c                     10.321(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       774.2
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n m a'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
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_type_symbol
_atom_type_oxidation_number
  Pt4+   4.000
  Ba2+   2.000
  Cu2+   2.000
  Y3+    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
  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_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Pt1   0.0019(1) 0. -0.0004(1) 0.0075(1) 0. 0.0041(1)
  Ba1   0.0057(2) 0. -0.0006(1) 0.0102(2) 0. 0.0080(2)
  Ba2   0.0065(2) 0. 0.0004(1) 0.0111(2) 0. 0.0079(2)
  Cu1   0.0055(4) 0. -0.0006(3) 0.0089(4) 0. 0.0045(3)
  Y1    0.0037(3) 0. -0.0003(2) 0.0080(3) 0. 0.0047(3)
  Y2    0.0031(3) 0. -0.0001(2) 0.0084(3) 0. 0.0046(3)
  O1    0.0114(17) -0.0012(14) -0.0019(13) 0.0103(14) 0.0013(13) 0.0141(19)
  O2    0.0129(19) 0.0009(14) 0.0028(13) 0.0130(16) -0.0043(15) 0.0106(16)
  O3    0.0050(22) 0. -0.0011(17) 0.0149(25) 0. 0.0114(24)
  O4    0.0108(17) -0.0036(16) 0.0028(14) 0.0186(20) 0.0008(17) 0.0116(17)
  O5    0.0118(27) 0. 0.0118(27) 0.0195(29) 0.003(2) 0.0101(25)
_refine_ls_R_factor_all            0.05
_cod_database_code 1000284
_journal_paper_doi 10.1209/0295-5075/4/9/012