The crystal structure described by ZrCoAs is half-Heusler structured and crystallizes in the cubic F-43m space group. Zr(1) is bonded in a body-centered cubic geometry to four equivalent Co(1) and four equivalent As(1) atoms. Co(1) is bonded to four equivalent Zr(1) and six equivalent As(1) atoms to form distorted CoZr4As6 tetrahedra that share corners with four equivalent As(1)Zr4Co6 tetrahedra, corners with six equivalent Co(1)Zr4As6 tetrahedra, edges with six equivalent As(1)Zr4Co6 tetrahedra, and faces with twelve equivalent Co(1)Zr4As6 tetrahedra. As(1) is bonded to four equivalent Zr(1) and six equivalent Co(1) atoms to form distorted AsZr4Co6 tetrahedra that share corners with four equivalent Co(1)Zr4As6 tetrahedra, corners with six equivalent As(1)Zr4Co6 tetrahedra, edges with six equivalent Co(1)Zr4As6 tetrahedra, and faces with twelve equivalent As(1)Zr4Co6 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrCoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.382
_cell_length_b   4.382
_cell_length_c   4.382
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   59.480
_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
  Zr  Zr0  1  0.250  0.250  0.250  1.0
  Co  Co1  1  0.500  0.500  0.500  1.0
  As  As2  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by ZrCoAs is half-Heusler structured and crystallizes in the cubic F-43m space group. Zr(1) is bonded in a body-centered cubic geometry to four equivalent Co(1) and four equivalent As(1) atoms. Co(1) is bonded to four equivalent Zr(1) and six equivalent As(1) atoms to form distorted CoZr4As6 tetrahedra that share corners with four equivalent As(1)Zr4Co6 tetrahedra, corners with six equivalent Co(1)Zr4As6 tetrahedra, edges with six equivalent As(1)Zr4Co6 tetrahedra, and faces with twelve equivalent Co(1)Zr4As6 tetrahedra. As(1) is bonded to four equivalent Zr(1) and six equivalent Co(1) atoms to form distorted AsZr4Co6 tetrahedra that share corners with four equivalent Co(1)Zr4As6 tetrahedra, corners with six equivalent As(1)Zr4Co6 tetrahedra, edges with six equivalent Co(1)Zr4As6 tetrahedra, and faces with twelve equivalent As(1)Zr4Co6 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrCoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.382
_cell_length_b   4.382
_cell_length_c   4.382
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   59.480
_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
  Zr  Zr0  1  0.250  0.250  0.250  1.0
  Co  Co1  1  0.500  0.500  0.500  1.0
  As  As2  1  0.000  0.000  0.000  1.0
[/CIF]
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