The material described by CoCrTa crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 16-coordinate geometry to one Ta(1); three Ta(2,2); one Cr(3); two equivalent Cr(1); two equivalent Cr(2); three equivalent Co(1); and four equivalent Co(2) atoms. In the second Ta site, Ta(2) is bonded in a 16-coordinate geometry to one Ta(2), three equivalent Ta(1), one Cr(1), two equivalent Cr(3), four equivalent Cr(2), two equivalent Co(2), and three equivalent Co(1) atoms. In the third Ta site, Ta(2) is bonded in a 16-coordinate geometry to one Ta(2), three equivalent Ta(1), one Cr(1), two equivalent Cr(3), four equivalent Cr(2), two equivalent Co(2), and three equivalent Co(1) atoms. In the fourth Ta site, Ta(1) is bonded in a 16-coordinate geometry to one Ta(1); three Ta(2,2); one Cr(3); two equivalent Cr(1); two equivalent Cr(2); three equivalent Co(1); and four equivalent Co(2) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Ta(2); four Ta(1,1); two equivalent Co(1); and four equivalent Co(2) atoms to form distorted CrTa6Co6 cuboctahedra that share corners with two equivalent Cr(3)Ta6Cr4Co2 cuboctahedra, corners with four equivalent Cr(1)Ta6Co6 cuboctahedra, corners with four equivalent Co(1)Ta6Cr4Co2 cuboctahedra, corners with eight equivalent Cr(2)Ta6Cr4Co2 cuboctahedra, edges with two equivalent Cr(1)Ta6Co6 cuboctahedra, edges with four equivalent Cr(3)Ta6Cr4Co2 cuboctahedra, faces with four equivalent Cr(2)Ta6Cr4Co2 cuboctahedra, faces with six equivalent Co(1)Ta6Cr4Co2 cuboctahedra, and faces with eight equivalent Co(2)Ta6Cr2Co4 cuboctahedra. In the second Cr site, Cr(2) is bonded to two equivalent Ta(1); four Ta(2,2); two equivalent Cr(2); two equivalent Cr(3); and two equivalent Co(1) atoms to form CrTa6Cr4Co2 cuboctahedra that share corners with four equivalent Cr(1)Ta6Co6 cuboctahedra, corners with four equivalent Cr(2)Ta6Cr4Co2 cuboctahedra, corners with four equivalent Co(1)Ta6Cr4Co2 cuboctahedra, corners with six equivalent Co(2)Ta6Cr2Co4 cuboctahedra, edges with two equivalent Cr(2)Ta6Cr4Co2 cuboctahedra, edges with four equivalent Co(2)Ta6Cr2Co4 cuboctahedra, faces with two equivalent Cr(1)Ta6Co6 cuboctahedra, faces with two equivalent Co(2)Ta6Cr2Co4 cuboctahedra, faces with four equivalent Cr(2)Ta6Cr4Co2 cuboctahedra, faces with four equivalent Cr(3)Ta6Cr4Co2 cuboctahedra, and faces with six equivalent Co(1)Ta6Cr4Co2 cuboctahedra. In the third Cr site, Cr(3) is bonded to two equivalent Ta(1), four equivalent Ta(2), four equivalent Cr(2), and two equivalent Co(1) atoms to form CrTa6Cr4Co2 cuboctahedra that share corners with two equivalent Cr(1)Ta6Co6 cuboctahedra, corners with four equivalent Cr(3)Ta6Cr4Co2 cuboctahedra, corners with four equivalent Co(1)Ta6Cr4Co2 cuboctahedra, corners with eight equivalent Co(2)Ta6Cr2Co4 cuboctahedra, edges with two equivalent Cr(3)Ta6Cr4Co2 cuboctahedra, edges with four equivalent Cr(1)Ta6Co6 cuboctahedra, faces with four equivalent Co(2)Ta6Cr2Co4 cuboctahedra, faces with six equivalent Co(1)Ta6Cr4Co2 cuboctahedra, and faces with eight equivalent Cr(2)Ta6Cr4Co2 cuboctahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Ta(1); three Ta(2,2); one Cr(1); one Cr(3); two equivalent Cr(2); and two equivalent Co(2) atoms to form CoTa6Cr4Co2 cuboctahedra that share corners with two equivalent Cr(1)Ta6Co6 cuboctahedra, corners with two equivalent Cr(3)Ta6Cr4Co2 cuboctahedra, corners with four equivalent Cr(2)Ta6Cr4Co2 cuboctahedra, corners with four equivalent Co(2)Ta6Cr2Co4 cuboctahedra, edges with six equivalent Co(1)Ta6Cr4Co2 cuboctahedra, faces with two equivalent Co(1)Ta6Cr4Co2 cuboctahedra, faces with three equivalent Cr(1)Ta6Co6 cuboctahedra, faces with three equivalent Cr(3)Ta6Cr4Co2 cuboctahedra, faces with six equivalent Cr(2)Ta6Cr4Co2 cuboctahedra, and faces with six equivalent Co(2)Ta6Cr2Co4 cuboctahedra. In the second Co site, Co(2) is bonded to two equivalent Ta(2); four Ta(1,1); two equivalent Cr(1); two equivalent Co(1); and two equivalent Co(2) atoms to form distorted CoTa6Cr2Co4 cuboctahedra that share corners with four equivalent Cr(3)Ta6Cr4Co2 cuboctahedra, corners with four equivalent Co(2)Ta6Cr2Co4 cuboctahedra, corners with four equivalent Co(1)Ta6Cr4Co2 cuboctahedra, corners with six equivalent Cr(2)Ta6Cr4Co2 cuboctahedra, edges with two equivalent Co(2)Ta6Cr2Co4 cuboctahedra, edges with four equivalent Cr(2)Ta6Cr4Co2 cuboctahedra, faces with two equivalent Cr(2)Ta6Cr4Co2 cuboctahedra, faces with two equivalent Cr(3)Ta6Cr4Co2 cuboctahedra, faces with four equivalent Cr(1)Ta6Co6 cuboctahedra, faces with four equivalent Co(2)Ta6Cr2Co4 cuboctahedra, and faces with six equivalent Co(1)Ta6Cr4Co2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaCrCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.734
_cell_length_b   4.734
_cell_length_c   7.955
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.179
_symmetry_Int_Tables_number   1
_cell_volume   155.629
_cell_formula_units_Z   4
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
  Ta  Ta0  1  0.670  0.330  0.316  1.0
  Ta  Ta1  1  0.337  0.663  0.189  1.0
  Ta  Ta2  1  0.337  0.663  0.811  1.0
  Ta  Ta3  1  0.670  0.330  0.684  1.0
  Cr  Cr4  1  0.165  0.835  0.500  1.0
  Cr  Cr5  1  0.342  0.168  0.000  1.0
  Cr  Cr6  1  0.832  0.658  0.000  1.0
  Cr  Cr7  1  0.830  0.170  0.000  1.0
  Co  Co8  1  0.000  1.000  0.257  1.0
  Co  Co9  1  0.000  1.000  0.743  1.0
  Co  Co10  1  0.655  0.839  0.500  1.0
  Co  Co11  1  0.161  0.345  0.500  1.0
[/CIF]
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The material described by CoCrTa crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 16-coordinate geometry to one Ta(1); three Ta(2,2); one Cr(3); two equivalent Cr(1); two equivalent Cr(2); three equivalent Co(1); and four equivalent Co(2) atoms. In the second Ta site, Ta(2) is bonded in a 16-coordinate geometry to one Ta(2), three equivalent Ta(1), one Cr(1), two equivalent Cr(3), four equivalent Cr(2), two equivalent Co(2), and three equivalent Co(1) atoms. In the third Ta site, Ta(2) is bonded in a 16-coordinate geometry to one Ta(2), three equivalent Ta(1), one Cr(1), two equivalent Cr(3), four equivalent Cr(2), two equivalent Co(2), and three equivalent Co(1) atoms. In the fourth Ta site, Ta(1) is bonded in a 16-coordinate geometry to one Ta(1); three Ta(2,2); one Cr(3); two equivalent Cr(1); two equivalent Cr(2); three equivalent Co(1); and four equivalent Co(2) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent Ta(2); four Ta(1,1); two equivalent Co(1); and four equivalent Co(2) atoms to form distorted CrTa6Co6 cuboctahedra that share corners with two equivalent Cr(3)Ta6Cr4Co2 cuboctahedra, corners with four equivalent Cr(1)Ta6Co6 cuboctahedra, corners with four equivalent Co(1)Ta6Cr4Co2 cuboctahedra, corners with eight equivalent Cr(2)Ta6Cr4Co2 cuboctahedra, edges with two equivalent Cr(1)Ta6Co6 cuboctahedra, edges with four equivalent Cr(3)Ta6Cr4Co2 cuboctahedra, faces with four equivalent Cr(2)Ta6Cr4Co2 cuboctahedra, faces with six equivalent Co(1)Ta6Cr4Co2 cuboctahedra, and faces with eight equivalent Co(2)Ta6Cr2Co4 cuboctahedra. In the second Cr site, Cr(2) is bonded to two equivalent Ta(1); four Ta(2,2); two equivalent Cr(2); two equivalent Cr(3); and two equivalent Co(1) atoms to form CrTa6Cr4Co2 cuboctahedra that share corners with four equivalent Cr(1)Ta6Co6 cuboctahedra, corners with four equivalent Cr(2)Ta6Cr4Co2 cuboctahedra, corners with four equivalent Co(1)Ta6Cr4Co2 cuboctahedra, corners with six equivalent Co(2)Ta6Cr2Co4 cuboctahedra, edges with two equivalent Cr(2)Ta6Cr4Co2 cuboctahedra, edges with four equivalent Co(2)Ta6Cr2Co4 cuboctahedra, faces with two equivalent Cr(1)Ta6Co6 cuboctahedra, faces with two equivalent Co(2)Ta6Cr2Co4 cuboctahedra, faces with four equivalent Cr(2)Ta6Cr4Co2 cuboctahedra, faces with four equivalent Cr(3)Ta6Cr4Co2 cuboctahedra, and faces with six equivalent Co(1)Ta6Cr4Co2 cuboctahedra. In the third Cr site, Cr(3) is bonded to two equivalent Ta(1), four equivalent Ta(2), four equivalent Cr(2), and two equivalent Co(1) atoms to form CrTa6Cr4Co2 cuboctahedra that share corners with two equivalent Cr(1)Ta6Co6 cuboctahedra, corners with four equivalent Cr(3)Ta6Cr4Co2 cuboctahedra, corners with four equivalent Co(1)Ta6Cr4Co2 cuboctahedra, corners with eight equivalent Co(2)Ta6Cr2Co4 cuboctahedra, edges with two equivalent Cr(3)Ta6Cr4Co2 cuboctahedra, edges with four equivalent Cr(1)Ta6Co6 cuboctahedra, faces with four equivalent Co(2)Ta6Cr2Co4 cuboctahedra, faces with six equivalent Co(1)Ta6Cr4Co2 cuboctahedra, and faces with eight equivalent Cr(2)Ta6Cr4Co2 cuboctahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Ta(1); three Ta(2,2); one Cr(1); one Cr(3); two equivalent Cr(2); and two equivalent Co(2) atoms to form CoTa6Cr4Co2 cuboctahedra that share corners with two equivalent Cr(1)Ta6Co6 cuboctahedra, corners with two equivalent Cr(3)Ta6Cr4Co2 cuboctahedra, corners with four equivalent Cr(2)Ta6Cr4Co2 cuboctahedra, corners with four equivalent Co(2)Ta6Cr2Co4 cuboctahedra, edges with six equivalent Co(1)Ta6Cr4Co2 cuboctahedra, faces with two equivalent Co(1)Ta6Cr4Co2 cuboctahedra, faces with three equivalent Cr(1)Ta6Co6 cuboctahedra, faces with three equivalent Cr(3)Ta6Cr4Co2 cuboctahedra, faces with six equivalent Cr(2)Ta6Cr4Co2 cuboctahedra, and faces with six equivalent Co(2)Ta6Cr2Co4 cuboctahedra. In the second Co site, Co(2) is bonded to two equivalent Ta(2); four Ta(1,1); two equivalent Cr(1); two equivalent Co(1); and two equivalent Co(2) atoms to form distorted CoTa6Cr2Co4 cuboctahedra that share corners with four equivalent Cr(3)Ta6Cr4Co2 cuboctahedra, corners with four equivalent Co(2)Ta6Cr2Co4 cuboctahedra, corners with four equivalent Co(1)Ta6Cr4Co2 cuboctahedra, corners with six equivalent Cr(2)Ta6Cr4Co2 cuboctahedra, edges with two equivalent Co(2)Ta6Cr2Co4 cuboctahedra, edges with four equivalent Cr(2)Ta6Cr4Co2 cuboctahedra, faces with two equivalent Cr(2)Ta6Cr4Co2 cuboctahedra, faces with two equivalent Cr(3)Ta6Cr4Co2 cuboctahedra, faces with four equivalent Cr(1)Ta6Co6 cuboctahedra, faces with four equivalent Co(2)Ta6Cr2Co4 cuboctahedra, and faces with six equivalent Co(1)Ta6Cr4Co2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaCrCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.734
_cell_length_b   4.734
_cell_length_c   7.955
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.179
_symmetry_Int_Tables_number   1
_cell_volume   155.629
_cell_formula_units_Z   4
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
  Ta  Ta0  1  0.670  0.330  0.316  1.0
  Ta  Ta1  1  0.337  0.663  0.189  1.0
  Ta  Ta2  1  0.337  0.663  0.811  1.0
  Ta  Ta3  1  0.670  0.330  0.684  1.0
  Cr  Cr4  1  0.165  0.835  0.500  1.0
  Cr  Cr5  1  0.342  0.168  0.000  1.0
  Cr  Cr6  1  0.832  0.658  0.000  1.0
  Cr  Cr7  1  0.830  0.170  0.000  1.0
  Co  Co8  1  0.000  1.000  0.257  1.0
  Co  Co9  1  0.000  1.000  0.743  1.0
  Co  Co10  1  0.655  0.839  0.500  1.0
  Co  Co11  1  0.161  0.345  0.500  1.0
[/CIF]
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