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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/1/52/18/1521885.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_1521885
loop_
_publ_author_name
'Schiebel, P.'
'Kearley, G.J.'
'Burger, K.'
'Lehmann, M.'
'Buettner, H.G.'
'Prandl, W.'
_publ_section_title
;
 (N D3)-density distribution in orientationally disordered Ni (N D3)6 Cl2
 observed by means of neutron Laue diffraction
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              8567
_journal_page_last               8576
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Cl2 D18 N6 Ni'
_chemical_name_systematic        '(Ni (N D3)6) Cl2'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.06
_cell_length_b                   10.06
_cell_length_c                   10.06
_cell_volume                     1018.108
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Schiebel_JCOMEL_2000_1521.cif
_cod_data_source_block           D18Cl2N6Ni1
_cod_original_formula_sum        'D18 Cl2 N6 Ni1'
_cod_database_code               1521885
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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
N1 N-3 0.2117 0 0 1 0.0
Cl1 Cl-1 0.25 0.25 0.25 1 0.0
D1 D+1 0.077 0.064 0.241 0.25 0.0
D2 D+1 0 -0.074 0.239 0.25 0.0
Ni1 Ni+2 0 0 0 1 0.0
