The crystal structure described by ThCoAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 2-coordinate geometry to two equivalent Co(1) and two equivalent Al(2) atoms. In the second Th site, Th(2) is bonded in a 8-coordinate geometry to two equivalent Co(2), two equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to four equivalent Th(1), two equivalent Co(2), and two equivalent Al(1) atoms. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to one Th(2), one Co(1), two equivalent Al(1), and two equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 8-coordinate geometry to two equivalent Th(2), two equivalent Co(1), and four equivalent Co(2) atoms. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to two equivalent Th(1), two equivalent Th(2), two equivalent Co(2), and one Al(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ThAlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.339
_cell_length_b   7.339
_cell_length_c   3.472
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.677
_symmetry_Int_Tables_number   1
_cell_volume   186.072
_cell_formula_units_Z   3
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  0.282  0.348  0.000  1.0
  Th  Th1  1  0.652  0.718  0.000  1.0
  Th  Th2  1  0.973  0.027  0.500  1.0
  Al  Al3  1  0.729  0.271  0.000  1.0
  Al  Al4  1  0.060  0.677  0.000  1.0
  Al  Al5  1  0.323  0.940  0.000  1.0
  Co  Co6  1  0.560  0.440  0.500  1.0
  Co  Co7  1  0.907  0.487  0.500  1.0
  Co  Co8  1  0.513  0.093  0.500  1.0
[/CIF]
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The crystal structure described by ThCoAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 2-coordinate geometry to two equivalent Co(1) and two equivalent Al(2) atoms. In the second Th site, Th(2) is bonded in a 8-coordinate geometry to two equivalent Co(2), two equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to four equivalent Th(1), two equivalent Co(2), and two equivalent Al(1) atoms. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to one Th(2), one Co(1), two equivalent Al(1), and two equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 8-coordinate geometry to two equivalent Th(2), two equivalent Co(1), and four equivalent Co(2) atoms. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to two equivalent Th(1), two equivalent Th(2), two equivalent Co(2), and one Al(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ThAlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.339
_cell_length_b   7.339
_cell_length_c   3.472
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.677
_symmetry_Int_Tables_number   1
_cell_volume   186.072
_cell_formula_units_Z   3
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  0.282  0.348  0.000  1.0
  Th  Th1  1  0.652  0.718  0.000  1.0
  Th  Th2  1  0.973  0.027  0.500  1.0
  Al  Al3  1  0.729  0.271  0.000  1.0
  Al  Al4  1  0.060  0.677  0.000  1.0
  Al  Al5  1  0.323  0.940  0.000  1.0
  Co  Co6  1  0.560  0.440  0.500  1.0
  Co  Co7  1  0.907  0.487  0.500  1.0
  Co  Co8  1  0.513  0.093  0.500  1.0
[/CIF]
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