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#$Date: 2025-08-18 17:14:33 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/85/1538559.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1538559
loop_
_publ_author_name
'Jacobs, H.'
'Harbrecht, B.'
'Schardey, A.'
_publ_section_title
;
 Neue ternaere Alkalimetallhydroxide, M Li2 (O H)3 mit M= K, Rb, Cs sowie
 ein Caesiumdilithiumamid, Cs Li2 (N H2)3 - Strukturverwandtschaft zum Ba
 Ni O3 - Typ und zu Li O H
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              43
_journal_page_last               56
_journal_volume                  555
_journal_year                    1987
_chemical_formula_sum            'H3 K Li2 O3'
_chemical_name_systematic        'K Li2 (O H)3'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.23
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.802
_cell_length_b                   5.097
_cell_length_c                   6.112
_cell_volume                     175.952
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Jacobs_ZAACAB_1987_1831.cif
_cod_data_source_block           H3K1Li2O3
_cod_original_cell_volume        175.9517
_cod_original_formula_sum        'H3 K1 Li2 O3'
_cod_database_code               1538559
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
H3 H+1 0.64 0.25 0.52 1 0.0
H2 H+1 0.009 0.25 0.715 1 0.0
Li1 Li+1 0.6501 -0.005 0.1854 1 0.0
H1 H+1 0.75 0.25 0.895 1 0.0
K1 K+1 0.1518 0.25 0.2646 1 0.0
O2 O-2 0.0929 0.25 0.7945 1 0.0
O3 O-2 0.6686 0.25 0.4115 1 0.0
O1 O-2 0.6149 0.25 0.927 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139047406
