data_1001365
_chemical_name_systematic
;
Lanthanum strontium copper oxide (6.4/1.6/8/20)
;
_chemical_formula_structural       'La6.4 Sr1.6 Cu8 O20'
_chemical_formula_sum              'Cu8 La6.4 O20 Sr1.6'
_publ_section_title
;
La~8-x~ Sr~x~ Cu~8~ O~20~: An Oxygen-Deficient Perovskite Built of Cu
O~6~, Cu O~5~, and Cu O~4~ Polyhedra
;
loop_
_publ_author_name
  'Er=Rakho, L'
  'Michel, C'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    73
_journal_year                      1988
_journal_page_first                514
_journal_page_last                 519
_cell_length_a                     10.8461(8)
_cell_length_b                     10.8461(8)
_cell_length_c                     3.8631(10)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       454.4
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P 4/m b m'
_symmetry_Int_Tables_number        127
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,z'
  '-y,x,z'
  'y,-x,z'
  '1/2+y,1/2+x,z'
  '1/2-y,1/2-x,z'
  '-x,-y,-z'
  'x,y,-z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2-y,-z'
  'y,-x,-z'
  '-y,x,-z'
  '1/2-y,1/2-x,-z'
  '1/2+y,1/2+x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  La3+   3.000
  Sr2+   2.000
  Cu2+   2.200
  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 j 0.2621(2) 0.4693(2) 0.5 0.8  0 d
  Sr1   Sr2+   8 j 0.2621(2) 0.4693(2) 0.5 0.2  0 d
  Cu1   Cu2+   2 a 0. 0. 0. 1.  0 d
  Cu2   Cu2+   2 d 0.5 0. 0. 1.  0 d
  Cu3   Cu2+   4 g 0.2196(2) 0.7196(2) 0. 1.  0 d
  O1    O2-    2 b 0. 0. 0.5 1.  0 d
  O2    O2-    2 c 0.5 0. 0.5 1.  0 d
  O3    O2-    4 h 0.2169(3) 0.7169(3) 0.5 1.  0 d
  O4    O2-    4 g 0.3757(3) 0.8757(3) 0. 1.  0 d
  O5    O2-    8 i 0.1615(3) 0.0960(3) 0. 1.  0 d
_refine_ls_R_factor_all            0.149