#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/18/1001854.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_1001854
_chemical_name_systematic
;
Barium tetralanthanum pentacopper 13.4-oxide
;
_chemical_formula_structural       'Ba La4 Cu5 O13.4'
_chemical_formula_sum              'Ba Cu5 La4 O13.4'
_publ_section_title
;
The oxygen defect perovskite Ba La4 Cu5 O13.4, a metallic conductor
;
loop_
_publ_author_name
  'Michel, C'
  'Er-Rakho, L'
  'Raveau, B'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    20
_journal_year                      1985
_journal_page_first                667
_journal_page_last                 671
_cell_length_a                     8.644(4)
_cell_length_b                     8.644(4)
_cell_length_c                     3.867(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       288.9
_cell_formula_units_Z              1
_exptl_crystal_density_meas        7.05
_symmetry_space_group_name_H-M     'P 4/m'
_symmetry_Int_Tables_number        83
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-y,x,z'
  'y,-x,z'
  '-x,-y,-z'
  'x,y,-z'
  'y,-x,-z'
  '-y,x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  La3+   3.000
  Cu3+   2.560
  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
  Ba1   Ba2+   1 d 0.5 0.5 0.5 0.2  0 d
  La1   La3+   1 d 0.5 0.5 0.5 0.8  0 d
  Ba2   Ba2+   4 k 0.124(1) 0.277(1) 0.5 0.2  0 d
  La2   La3+   4 k 0.124(1) 0.277(1) 0.5 0.8  0 d
  Cu1   Cu3+   1 a 0. 0. 0. 1.  0 d
  Cu2   Cu3+   4 j 0.415(3) 0.168(2) 0. 1.  0 d
  O1    O2-    1 b 0. 0. 0.5 0.893  0 d
  O2    O2-    2 e 0. 0.5 0. 0.893  0 d
  O3    O2-    4 j 0.261(7) 0.384(8) 0. 0.893  0 d
  O4    O2-    4 j 0.229(8) 0.063(6) 0. 0.893  0 d
  O5    O2-    4 k 0.428(10) 0.155(6) 0.5 0.893  0 d
_refine_ls_R_factor_all            0.083
_cod_database_code 1001854