#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008448.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_1008448
_chemical_name_systematic          'Yttrium barium copper oxide (1/2/4/8.1)'
_chemical_formula_structural       'Y Ba2 Cu4 O8.06'
_chemical_formula_sum              'Ba2 Cu4 O8.06 Y'
_publ_section_title
;
Two New Bulk Superconducting Phases in the Y-Ba-Cu-O System: Y Ba~2~
Cu~3.5~ O~7+x~ (T~c~ 40K) and Y Ba~2~ Cu~4~ O~8+x~ (T~c~ 80K)
;
loop_
_publ_author_name
  'Karpinski, J'
  'Kaldis, E'
  'Rusiecki, S'
  'Jilek, E'
  'Fischer, P'
  'Bordet, P'
  'Chaillout, C'
  'Chenavas, J'
  'Hodeau, J L'
  'Marezio, M'
_journal_name_full                 'Journal of the Less-Common Metals'
_journal_coden_ASTM                JCOMAH
_journal_volume                    150
_journal_year                      1989
_journal_page_first                129
_journal_page_last                 137
_cell_length_a                     3.8415(3)
_cell_length_b                     3.8707(3)
_cell_length_c                     27.240(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       405.0
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'A m m m'
_symmetry_Int_Tables_number        65
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,-z'
  '-x,-y,z'
  '-x,y,-z'
  '-x,-y,-z'
  '-x,y,z'
  'x,y,-z'
  'x,-y,z'
  'x,1/2+y,1/2+z'
  'x,1/2-y,1/2-z'
  '-x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,1/2-y,1/2-z'
  '-x,1/2+y,1/2+z'
  'x,1/2+y,1/2-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Y3+    3.000
  Ba2+   2.000
  Cu2+   2.280
  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
  Y1    Y3+    2 c 0.5 0.5 0. 1.  0 d
  Ba1   Ba2+   4 j 0.5 0.5 0.1356(1) 1.  0 d
  Cu1   Cu2+   4 i 0. 0. 0.2127(1) 1.  0 d
  Cu2   Cu2+   4 i 0. 0. 0.0614(1) 1.  0 d
  O1    O2-    4 i 0. 0. 0.1454(1) 1.  0 d
  O2    O2-    4 l 0.5 0. 0.0524(1) 1.  0 d
  O3    O2-    4 l 0. 0.5 0.0528(1) 1.  0 d
  O4    O2-    4 l 0. 0.5 0.2187(1) 0.996(8)  0 d
  O5    O2-    4 l 0.5 0. 0.254(5) 0.032(6)  0 d
_refine_ls_R_factor_all            0.068
_cod_database_code 1008448