The crystal structure described by Cr2SbAs is Modderite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to four equivalent Sb(1) and two equivalent As(1) atoms to form distorted CrSb4As2 octahedra that share corners with four equivalent Cr(1)Sb4As2 octahedra, corners with eight equivalent Cr(2)Sb2As4 octahedra, edges with two equivalent Cr(1)Sb4As2 octahedra, edges with four equivalent Cr(2)Sb2As4 octahedra, and faces with two equivalent Cr(1)Sb4As2 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the second Cr site, Cr(2) is bonded to two equivalent Sb(1) and four equivalent As(1) atoms to form distorted CrSb2As4 octahedra that share corners with four equivalent Cr(2)Sb2As4 octahedra, corners with eight equivalent Cr(1)Sb4As2 octahedra, edges with two equivalent Cr(2)Sb2As4 octahedra, edges with four equivalent Cr(1)Sb4As2 octahedra, and faces with two equivalent Cr(2)Sb2As4 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. Sb(1) is bonded in a 6-coordinate geometry to two equivalent Cr(2) and four equivalent Cr(1) atoms. As(1) is bonded in a 6-coordinate geometry to two equivalent Cr(1) and four equivalent Cr(2) atoms. is represented by the CIF file [CIF]
data_Cr2SbAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.788
_cell_length_b   5.820
_cell_length_c   6.593
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   145.357
_cell_formula_units_Z   2
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  0.503  0.042  1.0
  Cr  Cr1  1  0.500  0.003  0.958  1.0
  Cr  Cr2  1  0.000  0.506  0.471  1.0
  Cr  Cr3  1  0.000  0.006  0.529  1.0
  Sb  Sb4  1  0.000  0.711  0.833  1.0
  Sb  Sb5  1  0.000  0.211  0.167  1.0
  As  As6  1  0.500  0.279  0.666  1.0
  As  As7  1  0.500  0.779  0.334  1.0
[/CIF]
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The crystal structure described by Cr2SbAs is Modderite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to four equivalent Sb(1) and two equivalent As(1) atoms to form distorted CrSb4As2 octahedra that share corners with four equivalent Cr(1)Sb4As2 octahedra, corners with eight equivalent Cr(2)Sb2As4 octahedra, edges with two equivalent Cr(1)Sb4As2 octahedra, edges with four equivalent Cr(2)Sb2As4 octahedra, and faces with two equivalent Cr(1)Sb4As2 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the second Cr site, Cr(2) is bonded to two equivalent Sb(1) and four equivalent As(1) atoms to form distorted CrSb2As4 octahedra that share corners with four equivalent Cr(2)Sb2As4 octahedra, corners with eight equivalent Cr(1)Sb4As2 octahedra, edges with two equivalent Cr(2)Sb2As4 octahedra, edges with four equivalent Cr(1)Sb4As2 octahedra, and faces with two equivalent Cr(2)Sb2As4 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. Sb(1) is bonded in a 6-coordinate geometry to two equivalent Cr(2) and four equivalent Cr(1) atoms. As(1) is bonded in a 6-coordinate geometry to two equivalent Cr(1) and four equivalent Cr(2) atoms. is represented by the CIF file [CIF]
data_Cr2SbAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.788
_cell_length_b   5.820
_cell_length_c   6.593
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   145.357
_cell_formula_units_Z   2
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  0.503  0.042  1.0
  Cr  Cr1  1  0.500  0.003  0.958  1.0
  Cr  Cr2  1  0.000  0.506  0.471  1.0
  Cr  Cr3  1  0.000  0.006  0.529  1.0
  Sb  Sb4  1  0.000  0.711  0.833  1.0
  Sb  Sb5  1  0.000  0.211  0.167  1.0
  As  As6  1  0.500  0.279  0.666  1.0
  As  As7  1  0.500  0.779  0.334  1.0
[/CIF]
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