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#$Date: 2015-09-05 13:29:32 +0200 (Sat 05 de Sep de 2015) $
#$Revision: 154413 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/97/1529785.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_1529785
loop_
_publ_author_name
'Currie, D.B.'
'Weller, M.T.'
_publ_section_title
;
 Structure and Electronic Properties of Lithium Doped Ln2 Cu O4 ( Ln = Nd,
 Gd)
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1155
_journal_page_last               1162
_journal_volume                  24
_journal_year                    1989
_chemical_formula_sum            'Cu0.86 Li0.14 Nd2 O3.9'
_chemical_name_systematic        'Nd2 Cu0.86 Li0.14 O3.9'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.9489
_cell_length_b                   3.9489
_cell_length_c                   12.1417
_cell_volume                     189.335
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Currie_MRBUAC_1989_1846.cif
_cod_data_source_block           Cu0.86Li0.14Nd2O3.9
_cod_original_cell_volume        189.3354
_cod_database_code               1529785
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+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
Nd1 Nd+3 0 0 0.35327 1 0.0
O1 O-2 0 0.5 0 1 0.0
O2 O-2 0 0.5 0.25 0.95 0.0
Li1 Li+1 0 0 0 0.14 0.0
Cu1 Cu+1 0 0 0 0.86 0.0
