
#(C) 2026 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_19668-ICSD
_database_code_ICSD 19668
_audit_creation_date 2021-08-01
_chemical_name_common 'Dilithium hydroxide chloride'
_chemical_formula_structural 'Li2 (O H) Cl'
_chemical_formula_sum 'H1 Cl1 Li2 O1'
_exptl_crystal_density_diffrn 1.86
_citation_title

;
Synthesis of the metastable cubic phase of Li$_2$OHCl by a mechanochemical
method
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Inorganic Chemistry' 2020 59 11901 11904 INOCAJ
loop_
_citation_author_citation_id
_citation_author_name
primary 'Yamamoto, Takayuki'
primary 'Shiba, Hinata'
primary 'Mitsukuchi, Naohiro'
primary 'Sugumar, Manoj Krishna'
primary 'Motoyama, Munekazu'
primary 'Iriyama, Yasutoshi'
_cell_length_a 3.87601(6)
_cell_length_b 3.82796(5)
_cell_length_c 7.99425(11)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 118.61
_cell_formula_units_Z 2
_space_group_name_H-M_alt 'P m c 21'
_space_group_IT_number 26
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, -y, z+1/2'
2 '-x, -y, z+1/2'
3 '-x, y, z'
4 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
O2- -2
Cl1- -1
Li1+ 1
H1+ 1
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
O1 O2- 2 a 0 -0.024 0 0.0136(5) 1
Cl1 Cl1- 2 b 0.5 0.5 0.5 0.0138(3) 1
Li1 Li1+ 2 a 0 0.001 0.25 0.0304(15) 1
Li2 Li1+ 2 b 0.5 0.086 0 0.025 1
H1 H1+ 2 a 0 0.699 0 0.025 1
#End of TTdata_19668-ICSD