#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/13/1001365.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_1001365
loop_
_publ_author_name
'Er Rakho, L'
'Michel, C'
'Raveau, B'
_publ_section_title
;
La₈₋ₓ Srₓ Cu₈ O₂₀: An Oxygen-Deficient Perovskite Built of Cu
O₆, Cu O₅, and Cu O₄ Polyhedra
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              514
_journal_page_last               519
_journal_paper_doi               10.1016/0022-4596(88)90138-7
_journal_volume                  73
_journal_year                    1988
_chemical_formula_structural     'La6.4 Sr1.6 Cu8 O20'
_chemical_formula_sum            'Cu8 La6.4 O20 Sr1.6'
_chemical_name_systematic
;
Lanthanum strontium copper oxide (6.4/1.6/8/20)
;
_space_group_IT_number           127
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.8461(8)
_cell_length_b                   10.8461(8)
_cell_length_c                   3.8631(10)
_cell_volume                     454.4
_refine_ls_R_factor_all          0.149
_cod_database_code               1001365
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
La3+ 3.000
Sr2+ 2.000
Cu2+ 2.200
O2- -2.000
