data_1008583
_chemical_name_systematic          'Thorium iron carbide (2/17/1.2)'
_chemical_formula_structural       'Th2 Fe17 C1.236'
_chemical_formula_sum              'Fe17 Th2'
_publ_section_title
;
Structural and magnetic behaviour of the series Th~2~Fe~17~C~x~ (x=0 to
1.25)
;
loop_
_publ_author_name
  'Isnard, O'
  'Soubeyroux, J L'
  'Fruchart, D'
  'Jacobs, T H'
  'Buschow, K H J'
_journal_name_full                 'Journal of Alloys Compd.'
_journal_coden_ASTM                JALCEU
_journal_volume                    186
_journal_year                      1992
_journal_page_first                135
_journal_page_last                 145
_cell_length_a                     8.690(2)
_cell_length_b                     8.690(2)
_cell_length_c                     12.510(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       818.1
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'R -3 m H'
_symmetry_Int_Tables_number        166
_symmetry_cell_setting             trigonal
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'
  '1/3+x,2/3+y,2/3+z'
  '2/3+x,1/3+y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  '2/3-y,1/3-x,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x,2/3-y,2/3-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  '2/3+x-y,1/3-y,1/3-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Th0    0.000
  Fe0    0.000
  C0     0.000
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
  Th1   Th0    6 c 0. 0. 0.3425(10) 1.  0 d
  Fe1   Fe0    6 c 0. 0. 0.0953(6) 1.  0 d
  Fe2   Fe0    9 d 0.5 0. 0.5 1.  0 d
  Fe3   Fe0   18 f 0.2825(5) 0. 0. 1.  0 d
  Fe4   Fe0   18 h 0.5028(4) 0.4972(4) 0.1555(5) 1.  0 d
  C1    C0     9 e 0.5 0. 0. 0.412(12)  0 d
_refine_ls_R_factor_all            0.03