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#$Date: 2016-09-15 17:27:05 +0300 (Thu, 15 Sep 2016) $
#$Revision: 186580 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/09/1540967.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_1540967
loop_
_publ_author_name
'Shibahara, T.'
'Yamasaki, M.'
_publ_section_title
;
 A new synthetic route to Hexachloromolybdate(III). An X-ray structure of
 (NH₄)₃[MoCl₆]
;
_journal_issue                   10
_journal_name_full               'Bulletin of the Chemical Society of Japan'
_journal_page_first              3022
_journal_page_last               3023
_journal_paper_doi               10.1246/bcsj.63.3022
_journal_volume                  63
_journal_year                    1990
_chemical_formula_sum            'Cl6 H12 Mo N3'
_chemical_name_systematic        '(N H4)3 (Mo Cl6)'
_space_group_IT_number           84
_symmetry_space_group_name_Hall  '-P 4c'
_symmetry_space_group_name_H-M   'P 42/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.822
_cell_length_b                   8.822
_cell_length_c                   7.271
_cell_volume                     565.885
_citation_journal_id_ASTM        BCSJA8
_cod_data_source_file            Shibahara_BCSJA8_1990_1348.cif
_cod_data_source_block           H12Cl6Mo1N3
_cod_original_formula_sum        'H12 Cl6 Mo1 N3'
_cod_database_code               1540967
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z+1/2
-x,-y,z
y,-x,z+1/2
-x,-y,-z
y,-x,-z-1/2
x,y,-z
-y,x,-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
N1 N-3 0.5 0.5 0 1 0.0 4
Mo1 Mo+3 0.5 0 0 1 0.0 0
Cl1 Cl-1 0.767 0.0716 0 1 0.0 0
Cl2 Cl-1 0.4436 0.1892 0.2373 1 0.0 0
N2 N-3 0.0838 0.2638 0 1 0.0 4
