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#$Date: 2014-03-15 08:38:07 +0000 (Sat, 15 Mar 2014) $
#$Revision: 106285 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/16/2101652.cif $
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#
# 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_2101652
loop_
_publ_author_name
'Iversen, B. B.'
'Larsen, F. K.'
'Figgis, B. N.'
'Reynolds, P. A.'
'Schultz, A. J.'
_publ_section_title
;
 Atomic displacement parameters for Ni(ND~3~)~4~(NO~2~)~2~ from 9 K
 X-ray and 13 K time-of-flight neutron diffraction data
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              923
_journal_page_last               931
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'D12 N6 Ni O4'
_[local]_cod_chemical_formula_sum_orig 'D12 N6 Ni1 O4'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 114.860(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   10.6090(10)
_cell_length_b                   6.7730(10)
_cell_length_c                   5.8790(10)
_cell_volume                     383.3
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     '0.7 to 4.2'
_exptl_absorpt_coefficient_mu    13.11
_exptl_crystal_density_diffrn    1.959
_[local]_cod_data_source_file    sh0080.cif
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ni .0 .0 .0
O1 .30843(9) .0 .1917(2)
O2 .21350(10) .0 -.2088(2)
N1 .20037(6) .0 -.00630(10)
N2 .06553(4) .22459(7) .27296(8)
D1 .10820(10) .1725(2) .4513(2)
D2 .13790(10) .3126(2) .2538(2)
D3 -.01460(10) .3136(2) .2569(2)
_cod_database_code 2101652
_journal_paper_doi 10.1107/S010876819600794X
_diffrn_radiation_probe neutron