#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/13/7221398.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_7221398
loop_
_publ_author_name
'Aguadero, A.'
'Daza, L.'
'Alonso, J.A.'
_publ_section_title
;
 Oxygen excess in La2 Co O(4+delta): a neutron diffraction study
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              615
_journal_page_last               622
_journal_volume                  63
_journal_year                    2008
_chemical_formula_sum            'Co La2 O4.22'
_chemical_name_systematic        'La2 Co O4.22'
_space_group_IT_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                   5.47813
_cell_length_b                   5.53399
_cell_length_c                   12.65714
_cell_volume                     383.713
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Aguadero_ZNBSEN_2008_1514.cif
_cod_data_source_block           Co1La2O4.22
_cod_original_cell_volume        383.7128
_cod_original_sg_symbol_Hall     '-C 2ac 2 (-x,z,y)'
_cod_original_formula_sum        'Co1 La2 O4.22'
_cod_database_code               7221398
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
x,-y,-z
-x+1/2,-y+1/2,z
-x,-y,-z
x-1/2,-y-1/2,z
-x,y,z
x-1/2,y-1/2,-z
x+1/2,y,z+1/2
-x+1,y+1/2,-z+1/2
x+1/2,-y,-z+1/2
-x+1,-y+1/2,z+1/2
-x+1/2,-y,-z+1/2
x,-y-1/2,z+1/2
-x+1/2,y,z+1/2
x,y-1/2,-z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O2 O-2 0 0.013 0.1727 0.703 0.0
Co1 Co+2 0 0 0 1 0.0
O4 O-2 0.25 0.25 0.2395 0.087 0.0
O3 O-2 0.048 -0.097 0.182 0.149 0.0
La1 La+3 0 -0.0035 0.3609 1 0.0
O1 O-2 0.25 0.25 -0.0076 1 0.0
