#------------------------------------------------------------------------------
#$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/12/1001293.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_1001293
_chemical_name_systematic
;
LANTHANUM CALCIUM COPPER OXIDE (1.9/1.1/2/5.95)
;
_chemical_formula_structural       'LA1.90 CA1.10 CU2 O5.95'
_chemical_formula_sum              'Ca1.1 Cu2 La1.9 O5.95'
_publ_section_title
;
Intercroissance de feuilletes "Perovskites lacunaires" et de feuillets
type chlorure de sodium: les oxydes La~2-~x A~1+x~ Cu~2~ O~6-x/2~ (A =
CA, SR)
;
loop_
_publ_author_name
  'Nguyen, N'
  'Er-Rakho, L'
  'Michel, C'
  'Choisnet, J'
  'Raveau, B'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    15
_journal_year                      1980
_journal_page_first                891
_journal_page_last                 897
_cell_length_a                     3.825(2)
_cell_length_b                     3.825(2)
_cell_length_c                     19.404(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       283.9
_cell_formula_units_Z              2
_exptl_crystal_density_meas        6.22
_symmetry_space_group_name_H-M     'I 4/m m m'
_symmetry_Int_Tables_number        139
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  '-y,x,z'
  'y,-x,z'
  'y,x,z'
  '-y,-x,z'
  '-x,-y,-z'
  'x,y,-z'
  'x,-y,-z'
  '-x,y,-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,-z'
  'y,x,-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
  '1/2+y,1/2+x,1/2+z'
  '1/2-y,1/2-x,1/2+z'
  '1/2-x,1/2-y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2+x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2-y,1/2-x,1/2-z'
  '1/2+y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  La3+   3.000
  Ca2+   2.000
  Cu2+   2.000
  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
  La1   La3+   2 a 0. 0. 0. 0.1  0 d
  Ca1   Ca2+   2 a 0. 0. 0. 0.9  0 d
  La2   La3+   4 e 0. 0. 0.1751(2) 0.9  0 d
  Ca2   Ca2+   4 e 0. 0. 0.1751(2) 0.1  0 d
  Cu1   Cu2+   4 e 0. 0. 0.5833(3) 1.  0 d
  O1    O2-    8 g 0. 0.5 0.080(1) 1.  0 d
  O2    O2-    4 e 0. 0. 0.705(1) 0.975  0 d
_refine_ls_R_factor_all            0.061
_cod_database_code 1001293