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#$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $
#$Revision: 86000 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/48/9014852.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9014852
loop_
_publ_author_name
'Mairesse, G.'
'Barbier, P.'
'Wignacourt, J.'
'Rubbens, A.'
'Wallart, F.'
_publ_section_title
;
 X-ray, Raman, infrared, and nuclear magnetic resonance studies of the
 crystal structure of ammonium tetrachloroaluminate, N H4 Al Cl4
 _cod_database_code 1004065
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              764
_journal_page_last               771
_journal_volume                  56
_journal_year                    1978
_chemical_formula_sum            'Al Cl4 N'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.022
_cell_length_b                   7.072
_cell_length_c                   9.257
_cell_volume                     721.561
_database_code_amcsd             0012165
_exptl_crystal_density_diffrn    1.683
_cod_database_code               9014852
_amcsd_formula_title             'Al Cl4 H4 N'
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Al1 0.56652 0.25000 0.68838
Cl1 0.71891 0.25000 0.54944
Cl2 0.40057 0.25000 0.57645
Cl3 0.57686 0.00746 0.82357
N1 0.68464 0.25000 0.17485