#(C) 2021 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_236278-ICSD
_database_code_ICSD 236278
_audit_creation_date 2013-08-01
_chemical_name_common 'Digallium trioxide - epsilon'
_chemical_formula_structural '(Ga2 O3)1.33'
_chemical_formula_sum 'Ga2.66 O3.99'
_exptl_crystal_density_diffrn 6.13
_citation_title

;
Structures of uncharacterised polymorphs of gallium oxide from total neutron
diffraction
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Chemistry - A European Journal' 2013 19 2803 2813 CEUJED
loop_
_citation_author_citation_id
_citation_author_name
primary 'Playford, Helen Y.'
primary 'Hannon, Alex C.'
primary 'Barney, Emma R.'
primary 'Walton, Richard I.'
_cell_length_a 2.9036(2)
_cell_length_b 2.9036(2)
_cell_length_c 9.2554(9)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 120.
_cell_volume 67.58
_cell_formula_units_Z 1
_space_group_name_H-M_alt 'P 63 m c'
_space_group_IT_number 186
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 '-x, -x+y, z+1/2'
2 'x-y, -y, z+1/2'
3 'y, x, z+1/2'
4 'x-y, x, z+1/2'
5 'y, -x+y, z+1/2'
6 '-x, -y, z+1/2'
7 'x, x-y, z'
8 '-x+y, y, z'
9 '-y, -x, z'
10 '-x+y, -x, z'
11 '-y, x-y, z'
12 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ga3+ 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_U_iso_or_equiv
_atom_site_occupancy
Ga1 Ga3+ 2 b 0.3333 0.6667 0.5598(6) 0.0044(2) 0.423(3)
Ga2 Ga3+ 2 b 0.6667 0.3333 0.6538(5) 0.0044(2) 0.399(2)
Ga3 Ga3+ 2 b 0.3333 0.6667 0.3705(4) 0.0044(2) 0.511(3)
O1 O2- 2 a 0 0 -0.001(6) 0.0091(2) 1.
O2 O2- 2 b 0.3333 0.6667 0.7556(6) 0.0091(2) 1.
#End of TTdata_236278-ICSD