#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008814.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_1008814
_chemical_name_systematic
;
Gold barium yttrium calcium copper oxide (1/2/0.7/0.3/2/7)
;
_chemical_formula_structural       'Au Ba2 (Y0.7 Ca0.3) Cu2 O7'
_chemical_formula_sum            'Au Ba2 Ca0.3 Cu2 O7 Y0.7'
_[local]_cod_chemical_formula_sum_orig 'Au Ba2 Ca.3 Cu2 O7 Y.7'
_publ_section_title
;
Au Ba2 (Y(1-x) Ca(x)) Cu2 O7: a new superconducting gold cuprate with
Tc above 80 K
;
loop_
_publ_author_name
  'Bordet, P'
  'LeFloch, S'
  'Chaillout, C'
  'Duc, F'
  'Gorius, M F'
  'Perroux, M'
  'Capponi, J J'
  'Toulemonde, P'
  'Tholence, J L'
_journal_name_full                 'Physica C (Amsterdam) (152,1988-)'
_journal_coden_ASTM                PHYCE6
_journal_volume                    276
_journal_year                      1997
_journal_page_first                237
_journal_page_last                 244
_cell_length_a                     3.8298(5)
_cell_length_b                     3.8420(5)
_cell_length_c                     12.111(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       178.2
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P m m m'
_symmetry_Int_Tables_number        47
_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'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Au3+   3.000
  Ba2+   2.000
  Y3+    3.000
  Ca2+   2.000
  Cu2+   2.150
  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
  Au1   Au3+   1 a 0. 0. 0. 1.  0 d
  Ba1   Ba2+   2 t 0.5 0.5 0.199(1) 1.  0 d
  Y1    Y3+    1 h 0.5 0.5 0.5 0.7  0 d
  Ca1   Ca2+   1 h 0.5 0.5 0.5 0.3  0 d
  Cu1   Cu2+   2 q 0. 0. 0.363(2) 1.  0 d
  O1    O2-    2 q 0. 0. 0.153(8) 1.  0 d
  O2    O2-    2 s 0.5 0. 0.39(2) 1.  0 d
  O3    O2-    2 r 0. 0.5 0.38(2) 1.  0 d
  O4    O2-    2 k 0.19(5) 0.5 0. 0.5  0 d
_refine_ls_R_factor_all            0.0491
_cod_database_code 1008814