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#$Date: 2016-09-16 14:55:27 +0300 (Fri, 16 Sep 2016) $
#$Revision: 186592 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/16/1531607.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_1531607
loop_
_publ_author_name
'Jacobs, H.'
'Schroeder, F.O.'
_publ_section_title
;
 Monoammoniates of aluminium halides: the crystal structures of (Al Br3) *
 (N H3) and (Al I3) * (N H3)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              327
_journal_page_last               329
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Al H3 I3 N'
_chemical_name_systematic        '(Al I3) (N H3)'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.536
_cell_length_b                   8.759
_cell_length_c                   14.348
_cell_volume                     1701.125
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Jacobs_ZAACAB_2002_1031.cif
_cod_data_source_block           H3Al1I3N1
_cod_original_formula_sum        'H3 Al1 I3 N1'
_cod_database_code               1531607
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,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
_atom_site_attached_hydrogens
Al1 Al+3 0.3693 0.4089 0.1585 1 0.0 0
I1 I-1 0.3309 0.2869 0.3121 1 0.0 0
N1 N-3 0.087 0.118 0.184 1 0.0 3
I2 I-1 0.0162 0.289 0.4175 1 0.0 0
I3 I-1 0.2216 0.4424 0.0582 1 0.0 0
