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data_82277-ICSD
_database_code_ICSD 82277
_audit_creation_date 1997-11-10
_chemical_name_common 'Lithium bismuth trioxide'
_chemical_formula_structural 'Li Bi O3'
_chemical_formula_sum 'Bi1 Li1 O3'
_exptl_crystal_density_diffrn 7.56
_diffrn_ambient_temperature 295.
_citation_title
'Preparation and crystal structure of a new lithium bismuth oxide: Li Bi O3'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Solid State Chemistry' 1996 126 121 126 JSSCBI
loop_
_citation_author_citation_id
_citation_author_name
primary 'Kumada, N.'
primary 'Takahashi, N.'
primary 'Kinomura, N.'
primary 'Sleight, A.W.'
_cell_length_a 8.8278(3)
_cell_length_b 4.9135(2)
_cell_length_c 10.6914(3)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 463.74
_cell_formula_units_Z 8
_space_group_name_H-M_alt 'P c c n'
_space_group_IT_number 56
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, -y+1/2, z+1/2'
2 '-x+1/2, y, z+1/2'
3 'x+1/2, y+1/2, -z'
4 '-x, -y, -z'
5 '-x, y+1/2, -z+1/2'
6 'x+1/2, -y, -z+1/2'
7 '-x+1/2, -y+1/2, z'
8 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Bi5+ 5
Li1+ 1
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
Bi1 Bi5+ 8 e 0.414(1) 0.006(3) 0.3647(8) 0.4(2) 1.
Li1 Li1+ 8 e 0.783(5) -0.004(17) 0.402(4) 2.(1) 1.
O1 O2- 8 e 0.406(2) 0.302(3) 0.043(2) 1.1(4) 1.
O2 O2- 8 e 0.420(2) 0.776(3) 0.200(2) 0.4(4) 1.
O3 O2- 4 c 0.25 0.25 0.285(3) 0.8(7) 1.
O4 O2- 4 d 0.25 0.75 0.952(3) 0.4(6) 1.
#End of TTdata_82277-ICSD