
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_95381-ICSD
_database_code_ICSD 95381
_audit_creation_date 2003-10-01
_chemical_name_common 'Lithium erbium oxide - alpha'
_chemical_formula_structural 'Li Er O2'
_chemical_formula_sum 'Er1 Li1 O2'
_chemical_name_structure_type Î³âˆ’LiFeO2
_exptl_crystal_density_diffrn 6.83
_diffrn_ambient_temperature 250.
_citation_title

;
Structures and magnetic properties of ternary lithium oxides Li R O2 ( R =
rare earths)
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Chemistry of Materials' 2002 14 3245 3251 CMATEX
loop_
_citation_author_citation_id
_citation_author_name
primary 'Hashimoto, Y.'
primary 'Wakeshima, M.'
primary 'Matsuhira, K.'
primary 'Hinatsu, Y.'
_cell_length_a 4.4291(2)
_cell_length_b 4.4291(2)
_cell_length_c 10.2210(5)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 200.5
_cell_formula_units_Z 4
_space_group_name_H-M_alt 'I 41/a m d S'
_space_group_IT_number 141
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'y, -x+1/2, z+1/4'
2 '-y, x+1/2, z+1/4'
3 'y, -x, -z'
4 '-y, x, -z'
5 '-y, -x+1/2, z+1/4'
6 'y, x+1/2, z+1/4'
7 '-y, -x, -z'
8 'y, x, -z'
9 'x, -y+1/2, -z+1/4'
10 '-x, y+1/2, -z+1/4'
11 'x, -y, z'
12 '-x, y, z'
13 '-x, -y+1/2, -z+1/4'
14 'x, y+1/2, -z+1/4'
15 '-x, -y, z'
16 'x, y, z'
17 'y+1/2, -x, z+3/4'
18 '-y+1/2, x, z+3/4'
19 'y+1/2, -x+1/2, -z+1/2'
20 '-y+1/2, x+1/2, -z+1/2'
21 '-y+1/2, -x, z+3/4'
22 'y+1/2, x, z+3/4'
23 '-y+1/2, -x+1/2, -z+1/2'
24 'y+1/2, x+1/2, -z+1/2'
25 'x+1/2, -y, -z+3/4'
26 '-x+1/2, y, -z+3/4'
27 'x+1/2, -y+1/2, z+1/2'
28 '-x+1/2, y+1/2, z+1/2'
29 '-x+1/2, -y, -z+3/4'
30 'x+1/2, y, -z+3/4'
31 '-x+1/2, -y+1/2, z+1/2'
32 'x+1/2, y+1/2, z+1/2'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li1+ 1
Er3+ 3
O2- -2
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_B_iso_or_equiv
_atom_site_occupancy
Li1 Li1+ 4 b 0 0 0.5 0.99(11) 1.
Er1 Er3+ 4 a 0 0 0 0.10(6) 1.
O1 O2- 8 e 0 0 0.2234(1) 0.84(6) 1.
#End of TTdata_95381-ICSD