#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/89/1008926.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_1008926
loop_
_publ_author_name
'Gondrand, M'
'Bertaut, E F'
_publ_section_title
;
Une nouvelle classe de composes Li T O2 (T = Sm, Eu, Gd)
;
_journal_coden_ASTM              BUFCAE
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_page_first              301
_journal_page_last               302
_journal_volume                  86
_journal_year                    1963
_chemical_formula_structural     'Li Gd O2'
_chemical_formula_sum            'Gd Li O2'
_chemical_name_systematic        'Lithium gadolinium oxide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.326
_cell_length_b                   11.34
_cell_length_c                   3.448
_cell_volume                     208.2
_exptl_crystal_density_meas      6.25
_cod_database_code               1008926
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,1/2+y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,-z
-x,-y,-z
1/2+x,1/2-y,1/2+z
x,y,1/2-z
1/2-x,1/2+y,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
Gd1 Gd3+ 4 c 0.05 0.137 0.25 1. 0 d
Li1 Li1+ 4 c -1. -1. -1. 1. 0 dum
O1 O2- 4 c -1. -1. -1. 2. 0 dum
loop_
_atom_type_symbol
_atom_type_oxidation_number
Gd3+ 3.000
Li1+ 1.000
O2- -2.000
