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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/71/2107113.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107113
loop_
_publ_author_name
'Molinie, P.'
'Brec, R.'
'Herpin, P.'
'Rouxel, J.'
_publ_section_title
;
 Structures des amidoaluminates alcalins M Al (N H2)4, (M= Na, K, Cs).
 Structure de l'amidogallate de sodium Na Ga (N H2)4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              925
_journal_page_last               934
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'Al H8 N4 Na'
_chemical_name_systematic        'Na (Al (N H2)4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.25
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.324
_cell_length_b                   6.05
_cell_length_c                   13.18
_cell_volume                     582.403
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Molinie_ACBCAR_1973_730.cif
_cod_data_source_block           H8Al1N4Na1
_cod_original_cell_volume        582.4025
_cod_original_formula_sum        'H8 Al1 N4 Na1'
_cod_database_code               2107113
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
H5 H+1 0.26 0.7 0.56 1 0.0
H2 H+1 0.27 0.12 0.8 1 0.0
N1 N-3 0.437 0.25 0.0861 1 0.0
H6 H+1 0.19 0.74 0.62 1 0.0
H1 H+1 0.25 0.34 0.83 1 0.0
N4 N-3 0.769 0.35 0.3578 1 0.0
H3 H+1 0.99 0.14 0.58 1 0.0
N2 N-3 0.282 0.249 0.2865 1 0.0
H4 H+1 0.94 0.36 0.57 1 0.0
N3 N-3 0.01 0.261 0.1125 1 0.0
H7 H+1 0.43 0.36 0.53 1 0.0
Al1 Al+3 0.2374 0.1483 0.155 1 0.0
Na1 Na+1 0.7275 0.1604 0.1913 1 0.0
H8 H+1 0.48 0.26 0.61 1 0.0
