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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/85/1008542.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_1008542
loop_
_publ_author_name
'Tuilier, M H'
'Chevalier, B'
'Tressaud, A'
'Brisson, C'
'Soubeyroux, J L'
'Etourneau, J'
_publ_section_title
;
EXAFS study at the LaLIII X-ray absorption edge of superconducting
materials obtained by fluorination of La₂₋ₓSrₓCuO₄ oxides
(0<x<0.15)
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              113
_journal_page_last               121
_journal_paper_doi               10.1016/0921-4534(92)90327-9
_journal_volume                  200
_journal_year                    1992
_chemical_formula_structural     'La2 Cu O4.178'
_chemical_formula_sum            'Cu La2 O4.178'
_chemical_name_systematic        'Lanthanum copper oxide (2/1/4.2)'
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      64
_symmetry_space_group_name_Hall  '-B 2ab 2'
_symmetry_space_group_name_H-M   'B m a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.328
_cell_length_b                   5.427
_cell_length_c                   13.194
_cell_volume                     381.5
_refine_ls_R_factor_all          0.102
_cod_database_code               1008542
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
x,1/2+y,1/2-z
x,1/2-y,1/2+z
-x,-y,-z
-x,y,z
-x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2+x,y,1/2+z
1/2+x,-y,1/2-z
1/2+x,1/2+y,-z
1/2+x,1/2-y,z
1/2-x,-y,1/2-z
1/2-x,y,1/2+z
1/2-x,1/2-y,z
1/2-x,1/2+y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
O1 0.01923(80) 0. 0. 0.1009(20) 0. 0.00047(10)
O2 0.01062(80) 0. 0. 0.02011(100) 0. 0.00219(10)
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. 0.0184(7) 0.3608(2) 1. 0 d
Cu1 Cu2+ 4 a 0. 0. 0. 1. 0 d
O1 O2- 8 f 0. 0.5019(25) 0.3175(3) 1. 0 d
O2 O2- 8 e 0.25 0.25 -0.0018(8) 1. 0 d
O3 O2- 8 e 0.25 0.25 0.2646(36) 0.089(6) 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
La3+ 3.000
Cu2+ 2.356
O2- -2.000
