#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002462.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_2002462
_chemical_name_systematic
;
Lanthanum strontium copper oxide (1.9/0.1/1/4)
;
_chemical_formula_structural       'La1.87 Sr0.13 Cu O4'
_chemical_formula_sum              'Cu La1.87 O4 Sr.13'
_publ_section_title
;
Zur Kenntnis von La1.5 Sr0.5 Cu0.75 Pt0.25 O4 mit einem Beitrag ueber
La1.87 Sr0.13 Cu O4
;
loop_
_publ_author_name
  'Mueller-Buschbaum, Hk'
  'Teichert, A'
_journal_name_full                 'Journal of the Less-Common Metals'
_journal_volume                    155
_journal_year                      1989
_journal_page_first                9
_journal_page_last                 14
_cell_length_a                     5.326(4)
_cell_length_b                     5.326(4)
_cell_length_c                     13.253(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       375.9
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'A b m a'
_symmetry_Int_Tables_number        64
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,y,1/2+z'
  '-x,-y,-z'
  'x,-y,z'
  '1/2-x,-y,1/2+z'
  '1/2+x,-y,1/2-z'
  'x,1/2+y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2+y,z'
  '-x,1/2-y,1/2-z'
  'x,1/2-y,1/2+z'
  '1/2-x,1/2-y,z'
  '1/2+x,1/2-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  La3+   3.000
  Sr2+   2.000
  Cu2+   2.130
  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+   8 f 0.008(1) 0. 0.36 0.935  0 d
  Sr1   Sr2+   8 f 0.008(1) 0. 0.36 0.065  0 d
  Cu1   Cu2+   4 a 0. 0. 0. 1.  0 d
  O1    O2-    8 e 0.25 0.25 0.993(2) 1.  0 d
  O2    O2-    8 f 0.018(8) 0. 0.180(1) 1.  0 d
_refine_ls_R_factor_all            0.038