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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/40/4124010.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_4124010
loop_
_publ_author_name
'David, W.I.F.'
'Jones, M.O.'
'Gregory, D.H.'
'Johnson, S.R.'
'Jewell, C.M.'
'Walton, A.'
'Edwards, P.P.'
_publ_section_title
;
 A mechanism for non-stoichiometry in the lithium amide/lithium imide
 hydrogen storage reaction
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1594
_journal_page_last               1601
_journal_volume                  129
_journal_year                    2007
_chemical_formula_sum            'H1.46 Li1.54 N'
_chemical_name_systematic        'Li1.54 N H1.46'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.0207
_cell_length_b                   5.0207
_cell_length_c                   5.0207
_cell_volume                     126.559
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            David_JACSAT_2007_1350.cif
_cod_data_source_block           H1.46Li1.54N1
_cod_original_cell_volume        126.5589
_cod_original_formula_sum        'H1.46 Li1.54 N1'
_cod_database_code               4124010
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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 0 0 1 0.0
Li1 Li+1 0.25 0.25 0.25 0.7724 0.0
