#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/11/1011134.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_1011134
loop_
_publ_author_name
'Cairns, R W'
'Ott, E'
_publ_section_title
;
X-ray studies of the system nickel-oxygen-water. I. Nickelous oxide and
hydroxide
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              527
_journal_page_last               533
_journal_paper_doi               10.1021/ja01329a013
_journal_volume                  55
_journal_year                    1933
_chemical_compound_source        synthetic
_chemical_formula_structural     'Ni (O H)2'
_chemical_formula_sum            'H2 Ni O2'
_chemical_name_mineral           Theophrastite
_chemical_name_systematic        'Nickel hydroxide'
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.114(5)
_cell_length_b                   3.114(5)
_cell_length_c                   4.617(5)
_cell_volume                     38.8
_exptl_crystal_density_meas      4
_cod_database_code               1011134
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-y,-x,z
x,x-y,z
y-x,y,z
-x,-y,-z
y,y-x,-z
x-y,x,-z
y,x,-z
-x,y-x,-z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Ni1 Ni2+ 1 a 0. 0. 0. 1. 0 d
O1 O2- 2 d 0.3333 0.6667 0.25 1. 1 d
H1 H1+ 2 d -1. -1. -1. 1. 0 dum
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ni2+ 2.000
O2- -2.000
H1+ 1.000
