The material structure described by Hf5CoAs3 crystallizes in the orthorhombic Pnma space group. There are five inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to one As(3), two equivalent As(1), and two equivalent As(2) atoms to form distorted edge-sharing HfAs5 trigonal bipyramids. In the second Hf site, Hf(2) is bonded in a 6-coordinate geometry to one Co(1), two equivalent As(3), and three equivalent As(1) atoms. In the third Hf site, Hf(3) is bonded in a 6-coordinate geometry to three equivalent Co(1), one As(2), and three equivalent As(3) atoms. In the fourth Hf site, Hf(4) is bonded in a 6-coordinate geometry to two equivalent Co(1), one As(1), one As(3), and two equivalent As(2) atoms. In the fifth Hf site, Hf(5) is bonded in a 4-coordinate geometry to one Co(1), one As(1), and three equivalent As(2) atoms. Co(1) is bonded in a 9-coordinate geometry to one Hf(2), one Hf(5), two equivalent Hf(4), three equivalent Hf(3), and two equivalent As(3) atoms. There are three inequivalent As sites. In the first As site, As(3) is bonded in a 9-coordinate geometry to one Hf(1), one Hf(4), two equivalent Hf(2), three equivalent Hf(3), and two equivalent Co(1) atoms. In the second As site, As(1) is bonded to one Hf(4), one Hf(5), two equivalent Hf(1), and three equivalent Hf(2) atoms to form distorted edge-sharing AsHf7 pentagonal bipyramids. In the third As site, As(2) is bonded in a 8-coordinate geometry to one Hf(3), two equivalent Hf(1), two equivalent Hf(4), and three equivalent Hf(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf5CoAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.655
_cell_length_b   10.403
_cell_length_c   17.312
_cell_angle_alpha   89.996
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   658.260
_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
  Hf  Hf0  1  0.250  0.184  0.369  1.0
  Hf  Hf1  1  0.750  0.816  0.631  1.0
  Hf  Hf2  1  0.750  0.684  0.131  1.0
  Hf  Hf3  1  0.250  0.316  0.869  1.0
  Hf  Hf4  1  0.250  0.880  0.478  1.0
  Hf  Hf5  1  0.750  0.120  0.522  1.0
  Hf  Hf6  1  0.750  0.380  0.022  1.0
  Hf  Hf7  1  0.250  0.620  0.978  1.0
  Hf  Hf8  1  0.250  0.944  0.076  1.0
  Hf  Hf9  1  0.750  0.056  0.924  1.0
  Hf  Hf10  1  0.750  0.444  0.424  1.0
  Hf  Hf11  1  0.250  0.556  0.576  1.0
  Hf  Hf12  1  0.250  0.241  0.168  1.0
  Hf  Hf13  1  0.750  0.759  0.832  1.0
  Hf  Hf14  1  0.750  0.741  0.332  1.0
  Hf  Hf15  1  0.250  0.259  0.668  1.0
  Hf  Hf16  1  0.250  0.515  0.277  1.0
  Hf  Hf17  1  0.750  0.485  0.723  1.0
  Hf  Hf18  1  0.750  0.015  0.223  1.0
  Hf  Hf19  1  0.250  0.985  0.777  1.0
  Co  Co20  1  0.250  0.633  0.408  1.0
  Co  Co21  1  0.750  0.367  0.592  1.0
  Co  Co22  1  0.750  0.133  0.092  1.0
  Co  Co23  1  0.250  0.867  0.908  1.0
  As  As24  1  0.250  0.490  0.120  1.0
  As  As25  1  0.750  0.510  0.880  1.0
  As  As26  1  0.750  0.990  0.380  1.0
  As  As27  1  0.250  0.010  0.620  1.0
  As  As28  1  0.250  0.814  0.218  1.0
  As  As29  1  0.750  0.186  0.782  1.0
  As  As30  1  0.750  0.314  0.282  1.0
  As  As31  1  0.250  0.686  0.718  1.0
  As  As32  1  0.250  0.189  0.008  1.0
  As  As33  1  0.750  0.811  0.992  1.0
  As  As34  1  0.750  0.689  0.492  1.0
  As  As35  1  0.250  0.311  0.508  1.0
[/CIF]
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The material structure described by Hf5CoAs3 crystallizes in the orthorhombic Pnma space group. There are five inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to one As(3), two equivalent As(1), and two equivalent As(2) atoms to form distorted edge-sharing HfAs5 trigonal bipyramids. In the second Hf site, Hf(2) is bonded in a 6-coordinate geometry to one Co(1), two equivalent As(3), and three equivalent As(1) atoms. In the third Hf site, Hf(3) is bonded in a 6-coordinate geometry to three equivalent Co(1), one As(2), and three equivalent As(3) atoms. In the fourth Hf site, Hf(4) is bonded in a 6-coordinate geometry to two equivalent Co(1), one As(1), one As(3), and two equivalent As(2) atoms. In the fifth Hf site, Hf(5) is bonded in a 4-coordinate geometry to one Co(1), one As(1), and three equivalent As(2) atoms. Co(1) is bonded in a 9-coordinate geometry to one Hf(2), one Hf(5), two equivalent Hf(4), three equivalent Hf(3), and two equivalent As(3) atoms. There are three inequivalent As sites. In the first As site, As(3) is bonded in a 9-coordinate geometry to one Hf(1), one Hf(4), two equivalent Hf(2), three equivalent Hf(3), and two equivalent Co(1) atoms. In the second As site, As(1) is bonded to one Hf(4), one Hf(5), two equivalent Hf(1), and three equivalent Hf(2) atoms to form distorted edge-sharing AsHf7 pentagonal bipyramids. In the third As site, As(2) is bonded in a 8-coordinate geometry to one Hf(3), two equivalent Hf(1), two equivalent Hf(4), and three equivalent Hf(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf5CoAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.655
_cell_length_b   10.403
_cell_length_c   17.312
_cell_angle_alpha   89.996
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   658.260
_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
  Hf  Hf0  1  0.250  0.184  0.369  1.0
  Hf  Hf1  1  0.750  0.816  0.631  1.0
  Hf  Hf2  1  0.750  0.684  0.131  1.0
  Hf  Hf3  1  0.250  0.316  0.869  1.0
  Hf  Hf4  1  0.250  0.880  0.478  1.0
  Hf  Hf5  1  0.750  0.120  0.522  1.0
  Hf  Hf6  1  0.750  0.380  0.022  1.0
  Hf  Hf7  1  0.250  0.620  0.978  1.0
  Hf  Hf8  1  0.250  0.944  0.076  1.0
  Hf  Hf9  1  0.750  0.056  0.924  1.0
  Hf  Hf10  1  0.750  0.444  0.424  1.0
  Hf  Hf11  1  0.250  0.556  0.576  1.0
  Hf  Hf12  1  0.250  0.241  0.168  1.0
  Hf  Hf13  1  0.750  0.759  0.832  1.0
  Hf  Hf14  1  0.750  0.741  0.332  1.0
  Hf  Hf15  1  0.250  0.259  0.668  1.0
  Hf  Hf16  1  0.250  0.515  0.277  1.0
  Hf  Hf17  1  0.750  0.485  0.723  1.0
  Hf  Hf18  1  0.750  0.015  0.223  1.0
  Hf  Hf19  1  0.250  0.985  0.777  1.0
  Co  Co20  1  0.250  0.633  0.408  1.0
  Co  Co21  1  0.750  0.367  0.592  1.0
  Co  Co22  1  0.750  0.133  0.092  1.0
  Co  Co23  1  0.250  0.867  0.908  1.0
  As  As24  1  0.250  0.490  0.120  1.0
  As  As25  1  0.750  0.510  0.880  1.0
  As  As26  1  0.750  0.990  0.380  1.0
  As  As27  1  0.250  0.010  0.620  1.0
  As  As28  1  0.250  0.814  0.218  1.0
  As  As29  1  0.750  0.186  0.782  1.0
  As  As30  1  0.750  0.314  0.282  1.0
  As  As31  1  0.250  0.686  0.718  1.0
  As  As32  1  0.250  0.189  0.008  1.0
  As  As33  1  0.750  0.811  0.992  1.0
  As  As34  1  0.750  0.689  0.492  1.0
  As  As35  1  0.250  0.311  0.508  1.0
[/CIF]
.