#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/16/1531616.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_1531616
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            'D4 Li N2 Rb'
_chemical_name_systematic        'Rb (Li (N D2)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                   7.808
_cell_length_b                   3.8552
_cell_length_c                   11.6204
_cell_volume                     349.790
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Jacobs_ZAACAB_2002_982.cif
_cod_data_source_block           D4Li1N2Rb1
_cod_original_cell_volume        349.7903
_cod_original_formula_sum        'D4 Li1 N2 Rb1'
_cod_database_code               1531616
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
D2 D+1 0.243 0.25 0.4376 1 0.0
Rb1 Rb+1 0.1196 0.25 0.7427 1 0.0
D3 D+1 0.102 0.057 0.0777 1 0.0
Li1 Li+1 0.37 0.25 -0.002 1 0.0
N2 N-3 0.1678 0.25 0.1117 1 0.0
D1 D+1 0.132 0.25 0.3251 1 0.0
N1 N-3 0.1156 0.25 0.4134 1 0.0
