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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/2/10/61/2106118.cif $
#------------------------------------------------------------------------------
#
# 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_2106118
loop_
_publ_author_name
'Visser, D.'
'Ijdo, D.J.W.'
'Verschoor, G.C.'
_publ_section_title
;
 The structure of K Ni Cl3 at room temperature
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              28
_journal_page_last               34
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'Cl3 K Ni'
_chemical_name_systematic        'K (Ni Cl3)'
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   11.795
_cell_length_b                   11.795
_cell_length_c                   5.926
_cell_volume                     713.983
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Visser_ACBCAR_1980_1267.cif
_cod_data_source_block           Cl3K1Ni1
_cod_original_cell_volume        713.9835
_cod_original_formula_sum        'Cl3 K1 Ni1'
_cod_database_code               2106118
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z
-x+y,y,z+1/2
-x,-x+y,z
-y,-x,z+1/2
x-y,-y,z
x,x-y,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
Ni1 Ni+2 0 0 0 1 0.0
Ni2 Ni+2 0.3333 0.6667 0.123 1 0.0
K1 K+1 0.3353 0.3353 0.3294 1 0.0
Cl1 Cl-1 0.1598 0 0.2604 1 0.0
Cl2 Cl-1 0.5056 0.1732 0.3852 1 0.0
