The compound described by Tb3Si2C2 crystallizes in the orthorhombic Cmm2 space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 2-coordinate geometry to six equivalent Si(1) and two equivalent C(1) atoms. In the second Tb site, Tb(2) is bonded to two equivalent Si(1) and four equivalent C(1) atoms to form TbSi2C4 octahedra that share corners with four equivalent C(1)Tb4C trigonal bipyramids and edges with two equivalent Tb(2)Si2C4 octahedra. Si(1) is bonded in a 9-coordinate geometry to one Tb(2), six equivalent Tb(1), and two equivalent Si(1) atoms. C(1) is bonded to two equivalent Tb(1), two equivalent Tb(2), and one C(1) atom to form distorted CTb4C trigonal bipyramids that share corners with two equivalent Tb(2)Si2C4 octahedra, corners with four equivalent C(1)Tb4C trigonal bipyramids, and edges with two equivalent C(1)Tb4C trigonal bipyramids. The corner-sharing octahedral tilt angles are 106°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3(SiC)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.548
_cell_length_b   7.548
_cell_length_c   4.677
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   148.546
_symmetry_Int_Tables_number   1
_cell_volume   139.044
_cell_formula_units_Z   1
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
  Tb  Tb0  1  0.360  0.640  0.461  1.0
  Tb  Tb1  1  0.640  0.360  0.461  1.0
  Tb  Tb2  1  0.000  0.000  0.954  1.0
  Si  Si3  1  0.201  0.799  0.965  1.0
  Si  Si4  1  0.799  0.201  0.965  1.0
  C  C5  1  0.159  0.159  0.453  1.0
  C  C6  1  0.841  0.841  0.453  1.0
[/CIF]
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The compound described by Tb3Si2C2 crystallizes in the orthorhombic Cmm2 space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 2-coordinate geometry to six equivalent Si(1) and two equivalent C(1) atoms. In the second Tb site, Tb(2) is bonded to two equivalent Si(1) and four equivalent C(1) atoms to form TbSi2C4 octahedra that share corners with four equivalent C(1)Tb4C trigonal bipyramids and edges with two equivalent Tb(2)Si2C4 octahedra. Si(1) is bonded in a 9-coordinate geometry to one Tb(2), six equivalent Tb(1), and two equivalent Si(1) atoms. C(1) is bonded to two equivalent Tb(1), two equivalent Tb(2), and one C(1) atom to form distorted CTb4C trigonal bipyramids that share corners with two equivalent Tb(2)Si2C4 octahedra, corners with four equivalent C(1)Tb4C trigonal bipyramids, and edges with two equivalent C(1)Tb4C trigonal bipyramids. The corner-sharing octahedral tilt angles are 106°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3(SiC)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.548
_cell_length_b   7.548
_cell_length_c   4.677
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   148.546
_symmetry_Int_Tables_number   1
_cell_volume   139.044
_cell_formula_units_Z   1
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
  Tb  Tb0  1  0.360  0.640  0.461  1.0
  Tb  Tb1  1  0.640  0.360  0.461  1.0
  Tb  Tb2  1  0.000  0.000  0.954  1.0
  Si  Si3  1  0.201  0.799  0.965  1.0
  Si  Si4  1  0.799  0.201  0.965  1.0
  C  C5  1  0.159  0.159  0.453  1.0
  C  C6  1  0.841  0.841  0.453  1.0
[/CIF]
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