The material described by ThMn2SiC crystallizes in the orthorhombic Cmcm space group. Th(1) is bonded in a 4-coordinate geometry to three equivalent Si(1) and four equivalent C(1) atoms. Mn(1) is bonded in a distorted single-bond geometry to three equivalent Si(1) and one C(1) atom. Si(1) is bonded in a 9-coordinate geometry to three equivalent Th(1) and six equivalent Mn(1) atoms. C(1) is bonded to four equivalent Th(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing CTh4Mn2 octahedra. The corner-sharing octahedral tilt angles are 24°. is represented by the Crystallographic Information File (CIF) [CIF]
data_ThMn2SiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.726
_cell_length_b   5.726
_cell_length_c   7.050
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   140.672
_symmetry_Int_Tables_number   1
_cell_volume   146.488
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Th  Th0  1  0.551  0.449  0.250  1.0
  Th  Th1  1  0.449  0.551  0.750  1.0
  Mn  Mn2  1  0.832  0.168  0.062  1.0
  Mn  Mn3  1  0.168  0.832  0.938  1.0
  Mn  Mn4  1  0.168  0.832  0.562  1.0
  Mn  Mn5  1  0.832  0.168  0.438  1.0
  Si  Si6  1  0.270  0.730  0.250  1.0
  Si  Si7  1  0.730  0.270  0.750  1.0
  C  C8  1  0.000  0.000  0.000  1.0
  C  C9  1  0.000  0.000  0.500  1.0
[/CIF]
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The material described by ThMn2SiC crystallizes in the orthorhombic Cmcm space group. Th(1) is bonded in a 4-coordinate geometry to three equivalent Si(1) and four equivalent C(1) atoms. Mn(1) is bonded in a distorted single-bond geometry to three equivalent Si(1) and one C(1) atom. Si(1) is bonded in a 9-coordinate geometry to three equivalent Th(1) and six equivalent Mn(1) atoms. C(1) is bonded to four equivalent Th(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing CTh4Mn2 octahedra. The corner-sharing octahedral tilt angles are 24°. is represented by the Crystallographic Information File (CIF) [CIF]
data_ThMn2SiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.726
_cell_length_b   5.726
_cell_length_c   7.050
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   140.672
_symmetry_Int_Tables_number   1
_cell_volume   146.488
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Th  Th0  1  0.551  0.449  0.250  1.0
  Th  Th1  1  0.449  0.551  0.750  1.0
  Mn  Mn2  1  0.832  0.168  0.062  1.0
  Mn  Mn3  1  0.168  0.832  0.938  1.0
  Mn  Mn4  1  0.168  0.832  0.562  1.0
  Mn  Mn5  1  0.832  0.168  0.438  1.0
  Si  Si6  1  0.270  0.730  0.250  1.0
  Si  Si7  1  0.730  0.270  0.750  1.0
  C  C8  1  0.000  0.000  0.000  1.0
  C  C9  1  0.000  0.000  0.500  1.0
[/CIF]
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