The compound described by Cr5NiAs3 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 7-coordinate geometry to two equivalent Ni(1), one As(2), and four equivalent As(1) atoms. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one As(2) and four equivalent As(1) atoms. In the third Cr site, Cr(3) is bonded in a 4-coordinate geometry to two equivalent As(1) and two equivalent As(2) atoms. Ni(1) is bonded in a 4-coordinate geometry to two equivalent Cr(1), two equivalent As(1), and two equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent Cr(1), two equivalent Cr(3), four equivalent Cr(2), and one Ni(1) atom. In the second As site, As(2) is bonded in a 9-coordinate geometry to one Cr(1), two equivalent Cr(2), four equivalent Cr(3), and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Cr5NiAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.648
_cell_length_b   6.394
_cell_length_c   6.394
_cell_angle_alpha   58.849
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   127.626
_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
  Cr  Cr0  1  0.500  0.598  0.402  1.0
  Cr  Cr1  1  0.500  0.405  0.008  1.0
  Cr  Cr2  1  0.500  0.992  0.595  1.0
  Cr  Cr3  1  0.000  0.750  0.003  1.0
  Cr  Cr4  1  0.000  0.997  0.250  1.0
  Ni  Ni5  1  0.000  0.255  0.745  1.0
  As  As6  1  0.000  0.329  0.340  1.0
  As  As7  1  0.000  0.660  0.671  1.0
  As  As8  1  0.500  0.014  0.986  1.0
[/CIF]
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The compound described by Cr5NiAs3 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 7-coordinate geometry to two equivalent Ni(1), one As(2), and four equivalent As(1) atoms. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one As(2) and four equivalent As(1) atoms. In the third Cr site, Cr(3) is bonded in a 4-coordinate geometry to two equivalent As(1) and two equivalent As(2) atoms. Ni(1) is bonded in a 4-coordinate geometry to two equivalent Cr(1), two equivalent As(1), and two equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent Cr(1), two equivalent Cr(3), four equivalent Cr(2), and one Ni(1) atom. In the second As site, As(2) is bonded in a 9-coordinate geometry to one Cr(1), two equivalent Cr(2), four equivalent Cr(3), and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Cr5NiAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.648
_cell_length_b   6.394
_cell_length_c   6.394
_cell_angle_alpha   58.849
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   127.626
_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
  Cr  Cr0  1  0.500  0.598  0.402  1.0
  Cr  Cr1  1  0.500  0.405  0.008  1.0
  Cr  Cr2  1  0.500  0.992  0.595  1.0
  Cr  Cr3  1  0.000  0.750  0.003  1.0
  Cr  Cr4  1  0.000  0.997  0.250  1.0
  Ni  Ni5  1  0.000  0.255  0.745  1.0
  As  As6  1  0.000  0.329  0.340  1.0
  As  As7  1  0.000  0.660  0.671  1.0
  As  As8  1  0.500  0.014  0.986  1.0
[/CIF]
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