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#$Date: 2018-02-06 16:32:32 +0200 (Tue, 06 Feb 2018) $
#$Revision: 206249 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/84/1538414.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_1538414
loop_
_publ_author_name
'Mizuno, J.'
_publ_section_title
;
 The crystal structure of nickel chloride hexahydrate, Ni Cl2 (H2 O)6
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              1574
_journal_page_last               1580
_journal_volume                  16
_journal_year                    1961
_chemical_formula_sum            'Cl2 H12 Ni O6'
_chemical_name_systematic        'Ni Cl2 (H2 O)6'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 122.17
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.23
_cell_length_b                   7.05
_cell_length_c                   6.57
_cell_volume                     401.091
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Mizuno_JUPSAU_1961_1584.cif
_cod_data_source_block           H12Cl2Ni1O6
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-02-06
;
_cod_original_cell_volume        401.0909
_cod_original_formula_sum        'H12 Cl2 Ni1 O6'
_cod_database_code               1538414
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
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_attached_hydrogens
_atom_site_U_iso_or_equiv
Cl1 Cl-1 0.271 0 0.167 1 0 0.0
Ni1 Ni+2 0 0 0 1 0 0.0
O1 O-2 0.0312 0.208 0.251 1 2 0.0
O2 O-2 0.288 0 0.702 1 2 0.0
