#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/58/1535838.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_1535838
loop_
_publ_author_name
'Nagib, M.'
'Jacobs, H.'
_publ_section_title
;
 Neutronenbeugung an Lithiumdeuteroamid
;
_journal_name_full               Atomkernenergie
_journal_page_first              275
_journal_page_last               278
_journal_volume                  21
_journal_year                    1973
_chemical_formula_sum            'D2 Li N'
_chemical_name_systematic        'Li N D2'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.037
_cell_length_b                   5.037
_cell_length_c                   10.28
_cell_volume                     260.818
_citation_journal_id_ASTM        ATKEAR
_cod_data_source_file            Nagib_ATKEAR_1973_367.cif
_cod_data_source_block           D2Li1N1
_cod_original_cell_volume        260.8177
_cod_original_formula_sum        'D2 Li1 N1'
_cod_database_code               1535838
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+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
D2 D+1 0.389 0.362 0.12 1 0.0
N1 N-3 0.2284 0.2452 0.1148 1 0.0
Li1 Li+1 0 0 0 1 0.0
Li2 Li+1 0 0.5 0.25 1 0.0
Li3 Li+1 0 0.5 0.0042 1 0.0
D1 D+1 0.235 0.113 0.186 1 0.0
