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#$Date: 2025-08-18 18:14:33 +0300 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/16/1531613.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_1531613
loop_
_publ_author_name
'Jacobs, H.'
'Bohger, P.'
'Kockelmann, W.'
_publ_section_title
;
 Rb Li (N H2)2, a rubidium amido lithiate investigated by X-ray and
 neutron diffraction
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1794
_journal_page_last               1798
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'H4 Li N2 Rb'
_chemical_name_systematic        'Rb (Li (N H2)2)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.772
_cell_length_b                   3.843
_cell_length_c                   11.583
_cell_volume                     345.959
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Jacobs_ZAACAB_2002_981.cif
_cod_data_source_block           H4Li1N2Rb1
_cod_original_cell_volume        345.9587
_cod_original_formula_sum        'H4 Li1 N2 Rb1'
_cod_database_code               1531613
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
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
N1 N-3 0.116 0.25 0.413 1 0.0
N2 N-3 0.1636 0.25 0.1124 1 0.0
H3 H+1 0.108 0.07 0.07 1 0.0
H2 H+1 0.241 0.25 0.43 1 0.0
Rb1 Rb+1 0.1223 0.25 0.74404 1 0.0
H1 H+1 0.125 0.25 0.339 1 0.0
Li1 Li+1 0.381 0.25 0.0029 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139046701
