
#(C) 2025 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_72840-ICSD
_database_code_ICSD 72840
_audit_creation_date 1994-01-19
_audit_update_record 2005-10-01
_chemical_name_common 'Hexalithium potassium bismuthate'
_chemical_formula_structural 'Li6 K (Bi O6)'
_chemical_formula_sum 'Bi1 K1 Li6 O6'
_exptl_crystal_density_diffrn 4.31
_citation_title

;
Six new Bi(V) materials: Li Sr3 Bi O6, Na Sr3 Bi O6, Na Ba3 Bi O6, Li6 K Bi
O6, Li6 Rb Bi O6 and Li2 Ba5 Bi2 O11
;
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' 1992 96 332 343 JSSCBI
loop_
_citation_author_citation_id
_citation_author_name
primary 'Carlson, V.A.'
primary 'Stacy, A.M.'
_cell_length_a 5.428(1)
_cell_length_b 5.428(1)
_cell_length_c 5.428(1)
_cell_angle_alpha 101.49(1)
_cell_angle_beta 101.49(1)
_cell_angle_gamma 101.49(1)
_cell_volume 148.75
_cell_formula_units_Z 1
_space_group_name_H-M_alt 'R -3 m R'
_space_group_IT_number 166
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 '-z, -y, -x'
2 '-z, -x, -y'
3 '-x, -z, -y'
4 '-y, -z, -x'
5 '-y, -x, -z'
6 '-x, -y, -z'
7 'z, y, x'
8 'z, x, y'
9 'x, z, y'
10 'y, z, x'
11 'y, x, z'
12 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Bi5+ 5
K1+ 1
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+ 1 a 0 0 0 0.865(5) 1.
K1 K1+ 1 b 0.5 0.5 0.5 2.05(4) 1.
Li1 Li1+ 6 f 0 0.343(2) 0.657(2) 0.8(3) 1.
O1 O2- 6 h 0.084(2) 0.719(2) 0.719(2) 1.7(2) 1.
#End of TTdata_72840-ICSD