data_9009240
_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_paper_doi               10.1103/PhysRevB.2.2859
_journal_volume                  2
_journal_year                    1970
_chemical_formula_structural     NiS
_chemical_formula_sum            'Ni S'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_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
_exptl_crystal_density_diffrn    5.498
_cod_database_code               9009240
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_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
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
