data_9012119
_publ_section_title
;
 Crystallographic and magnetic properties of the Cd(OH)2
 layer structure compound TiS2 containing extra iron
 Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              25
_journal_page_last               30
_journal_paper_doi               10.1016/0022-4596(73)90116-3
_journal_volume                  7
_journal_year                    1973
_chemical_formula_structural     FeTi4S8
_chemical_formula_sum            'Fe S8 Ti4'
_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                 90.0
_cell_angle_gamma                90
_cell_length_a                   11.854
_cell_length_b                   6.844
_cell_length_c                   11.424
_cell_volume                     926.815
_exptl_crystal_density_diffrn    3.611
_[local]_cod_chemical_formula_sum_orig 'Fe Ti4 S8'
_cod_database_code               9012119
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1 0.00000 0.00000 0.00000
Fe2 0.00000 0.50000 0.50000
Ti1 0.00000 0.00000 0.25000
Ti2 0.50000 0.00000 0.25000
Ti3 0.25000 0.75000 0.25000
S1 0.16700 0.00000 0.12500
S2 0.16700 0.00000 0.62500
S3 0.33333 0.00000 0.37500
S4 0.33333 0.00000 0.87500
S5 0.06300 0.25000 0.37500
S6 0.06300 0.25000 0.87500
