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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/2/10/71/2107111.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_2107111
loop_
_publ_author_name
'Molinie, P.'
'Brec, R.'
'Rouxel, J.'
'Herpin, P.'
_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 Cs H8 N4'
_chemical_name_systematic        'Cs (Al (N H2)4)'
_space_group_IT_number           85
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.579
_cell_length_b                   7.579
_cell_length_c                   5.375
_cell_volume                     308.747
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Molinie_ACBCAR_1973_713.cif
_cod_data_source_block           H8Al1Cs1N4
_cod_original_cell_volume        308.7467
_cod_original_formula_sum        'H8 Al1 Cs1 N4'
_cod_database_code               2107111
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z
-x+1/2,-y+1/2,z
y,-x+1/2,z
-x,-y,-z
y-1/2,-x,-z
x-1/2,y-1/2,-z
-y,x-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
Cs1 Cs+1 0.25 0.25 0.2697 1 0.0
N1 N-3 0.0818 0.665 0.215 1 0.0
Al1 Al+3 0.75 0.25 0 1 0.0
H2 H+1 -0.03 0.54 0.16 1 0.0
H1 H+1 0.04 0.65 0.42 1 0.0
