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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/1/53/85/1538562.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_1538562
loop_
_publ_author_name
'Jacobs, H.'
'Schardey, A.'
'Harbrecht, B.'
_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            'Cs H6 Li2 N3'
_chemical_name_systematic        'Cs Li2 (N H2)3'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.726
_cell_length_b                   11.151
_cell_length_c                   5.445
_cell_volume                     529.818
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Jacobs_ZAACAB_1987_1836.cif
_cod_data_source_block           H6Cs1Li2N3
_cod_original_cell_volume        529.8182
_cod_original_formula_sum        'H6 Cs1 Li2 N3'
_cod_database_code               1538562
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z-1/2
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
Li1 Li+1 0.1452 0 0 1 0.0
N1 N-3 0 0.0979 0.25 1 0.0
H2 H+1 0.135 0.431 0.25 1 0.0
N2 N-3 0.2269 0.4045 0.25 1 0.0
Cs1 Cs+1 0 0.69994 0.25 1 0.0
H1 H+1 0.93 0.134 0.25 1 0.0
H3 H+1 0.22 0.33 0.25 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139047408
