#------------------------------------------------------------------------------
#$Date: 2009-11-20 13:07:27 +0200 (Fri, 20 Nov 2009) $
#$Revision: 893 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009240.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_9009240
loop_
_publ_author_name
'Trahan J'
'Goodrich R G'
'Watkins S F'
_publ_section_title
;
 X-ray diffraction measurements on metallic and semiconducting hexagonal NiS
 Note: T = 300 K
;
_journal_name_full               'Physical Review B'
_journal_page_first              2859
_journal_page_last               2863
_journal_volume                  2
_journal_year                    1970
_chemical_formula_sum            'Ni S'
_chemical_name_mineral           NiS
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.4395
_cell_length_b                   3.4395
_cell_length_c                   5.3514
_cell_volume                     54.826
_diffrn_ambient_temperature      300
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ni 0.00000 0.00000 0.00000
S 0.33333 0.66667 0.25000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ni 0.02427 0.02427 0.05513 0.01214 0.00000 0.00000
S -0.00180 -0.00180 -0.00580 -0.00090 0.00000 0.00000