#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/89/1008941.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_1008941
loop_
_publ_author_name
'Bertaut, F'
'Gondrand, M'
_publ_section_title
;
Etude des combinaisons d'oxydes de terres rares et de lithium du type T
Li O2
;
_journal_coden_ASTM              COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first              1135
_journal_page_last               1137
_journal_volume                  255
_journal_year                    1962
_chemical_formula_structural     'Y Li O2'
_chemical_formula_sum            'Li O2 Y'
_chemical_name_systematic        'Yttrium lithium oxide - $-beta'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.8
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.12
_cell_length_b                   6.185
_cell_length_c                   6.21
_cell_volume                     206.0
_cod_database_code               1008941
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
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
Li1 Li1+ 4 e 0.25 0.625 0. 1. 0 d
Y1 Y3+ 4 e 0.25 0.125 0. 1. 0 d
O1 O2- 4 e 0. 0.15 0.2 1. 0 d
O2 O2- 4 e 0.45 0.1 0.75 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li1+ 1.000
Y3+ 3.000
O2- -2.000
