The material structure described by Cr3SbAs2 is Caswellsilverite-like structured and crystallizes in the monoclinic Pm space group. There are twelve inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one Sb(1), one As(2), two equivalent As(5), and two equivalent As(8) atoms to form CrSbAs5 octahedra that share corners with two equivalent Cr(11)Sb2As4 octahedra, corners with two equivalent Cr(12)Sb2As4 octahedra, corners with two equivalent Cr(5)Sb2As4 octahedra, corners with two equivalent Cr(4)SbAs5 octahedra, corners with four equivalent Cr(10)Sb4As2 octahedra, edges with two equivalent Cr(7)Sb2As4 octahedra, edges with two equivalent Cr(8)Sb4As2 octahedra, edges with two equivalent Cr(1)SbAs5 octahedra,  a faceface with one Cr(5)Sb2As4 octahedra, and  a faceface with one Cr(4)SbAs5 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second Cr site, Cr(2) is bonded to one Sb(2), one Sb(4), two equivalent As(3), and two equivalent As(6) atoms to form CrSb2As4 octahedra that share corners with two equivalent Cr(12)Sb2As4 octahedra, corners with two equivalent Cr(5)Sb2As4 octahedra, corners with two equivalent Cr(10)Sb4As2 octahedra, corners with two equivalent Cr(6)SbAs5 octahedra, corners with four equivalent Cr(11)Sb2As4 octahedra, edges with two equivalent Cr(2)Sb2As4 octahedra, edges with two equivalent Cr(9)Sb2As4 octahedra, edges with two equivalent Cr(8)Sb4As2 octahedra,  a faceface with one Cr(5)Sb2As4 octahedra, and  a faceface with one Cr(6)SbAs5 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the third Cr site, Cr(3) is bonded to one Sb(3), one As(1), two equivalent As(4), and two equivalent As(7) atoms to form CrSbAs5 octahedra that share corners with two equivalent Cr(11)Sb2As4 octahedra, corners with two equivalent Cr(10)Sb4As2 octahedra, corners with two equivalent Cr(4)SbAs5 octahedra, corners with two equivalent Cr(6)SbAs5 octahedra, corners with four equivalent Cr(12)Sb2As4 octahedra, edges with two equivalent Cr(7)Sb2As4 octahedra, edges with two equivalent Cr(9)Sb2As4 octahedra, edges with two equivalent Cr(3)SbAs5 octahedra,  a faceface with one Cr(4)SbAs5 octahedra, and  a faceface with one Cr(6)SbAs5 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. In the fourth Cr site, Cr(4) is bonded to one Sb(3), one As(2), two equivalent As(5), and two equivalent As(7) atoms to form CrSbAs5 octahedra that share corners with two equivalent Cr(9)Sb2As4 octahedra, corners with two equivalent Cr(8)Sb4As2 octahedra, corners with two equivalent Cr(1)SbAs5 octahedra, corners with two equivalent Cr(3)SbAs5 octahedra, corners with four equivalent Cr(7)Sb2As4 octahedra, edges with two equivalent Cr(12)Sb2As4 octahedra, edges with two equivalent Cr(10)Sb4As2 octahedra, edges with two equivalent Cr(4)SbAs5 octahedra,  a faceface with one Cr(1)SbAs5 octahedra, and  a faceface with one Cr(3)SbAs5 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. In the fifth Cr site, Cr(5) is bonded to one Sb(1), one Sb(4), two equivalent As(3), and two equivalent As(8) atoms to form CrSb2As4 octahedra that share corners with two equivalent Cr(2)Sb2As4 octahedra, corners with two equivalent Cr(7)Sb2As4 octahedra, corners with two equivalent Cr(9)Sb2As4 octahedra, corners with two equivalent Cr(1)SbAs5 octahedra, corners with four equivalent Cr(8)Sb4As2 octahedra, edges with two equivalent Cr(11)Sb2As4 octahedra, edges with two equivalent Cr(5)Sb2As4 octahedra, edges with two equivalent Cr(10)Sb4As2 octahedra,  a faceface with one Cr(2)Sb2As4 octahedra, and  a faceface with one Cr(1)SbAs5 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the sixth Cr site, Cr(6) is bonded to one Sb(2), one As(1), two equivalent As(4), and two equivalent As(6) atoms to form CrSbAs5 octahedra that share corners with two equivalent Cr(2)Sb2As4 octahedra, corners with two equivalent Cr(7)Sb2As4 octahedra, corners with two equivalent Cr(8)Sb4As2 octahedra, corners with two equivalent Cr(3)SbAs5 octahedra, corners with four equivalent Cr(9)Sb2As4 octahedra, edges with two equivalent Cr(11)Sb2As4 octahedra, edges with two equivalent Cr(12)Sb2As4 octahedra, edges with two equivalent Cr(6)SbAs5 octahedra,  a faceface with one Cr(2)Sb2As4 octahedra, and  a faceface with one Cr(3)SbAs5 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the seventh Cr site, Cr(7) is bonded to two equivalent Sb(3), one As(4), one As(8), and two equivalent As(2) atoms to form distorted CrSb2As4 octahedra that share corners with two equivalent Cr(12)Sb2As4 octahedra, corners with two equivalent Cr(5)Sb2As4 octahedra, corners with two equivalent Cr(10)Sb4As2 octahedra, corners with two equivalent Cr(6)SbAs5 octahedra, corners with four equivalent Cr(4)SbAs5 octahedra, edges with two equivalent Cr(7)Sb2As4 octahedra, edges with two equivalent Cr(1)SbAs5 octahedra, edges with two equivalent Cr(3)SbAs5 octahedra,  a faceface with one Cr(12)Sb2As4 octahedra, and  a faceface with one Cr(10)Sb4As2 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the eighth Cr site, Cr(8) is bonded to two equivalent Sb(1), two equivalent Sb(4), one As(5), and one As(6) atom to form CrSb4As2 octahedra that share corners with two equivalent Cr(11)Sb2As4 octahedra, corners with two equivalent Cr(10)Sb4As2 octahedra, corners with two equivalent Cr(4)SbAs5 octahedra, corners with two equivalent Cr(6)SbAs5 octahedra, corners with four equivalent Cr(5)Sb2As4 octahedra, edges with two equivalent Cr(2)Sb2As4 octahedra, edges with two equivalent Cr(8)Sb4As2 octahedra, edges with two equivalent Cr(1)SbAs5 octahedra,  a faceface with one Cr(11)Sb2As4 octahedra, and  a faceface with one Cr(10)Sb4As2 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the ninth Cr site, Cr(9) is bonded to two equivalent Sb(2), one As(3), one As(7), and two equivalent As(1) atoms to form CrSb2As4 octahedra that share corners with two equivalent Cr(11)Sb2As4 octahedra, corners with two equivalent Cr(12)Sb2As4 octahedra, corners with two equivalent Cr(5)Sb2As4 octahedra, corners with two equivalent Cr(4)SbAs5 octahedra, corners with four equivalent Cr(6)SbAs5 octahedra, edges with two equivalent Cr(2)Sb2As4 octahedra, edges with two equivalent Cr(9)Sb2As4 octahedra, edges with two equivalent Cr(3)SbAs5 octahedra,  a faceface with one Cr(11)Sb2As4 octahedra, and  a faceface with one Cr(12)Sb2As4 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. In the tenth Cr site, Cr(10) is bonded to two equivalent Sb(3), two equivalent Sb(4), one As(5), and one As(8) atom to form CrSb4As2 octahedra that share corners with two equivalent Cr(2)Sb2As4 octahedra, corners with two equivalent Cr(7)Sb2As4 octahedra, corners with two equivalent Cr(8)Sb4As2 octahedra, corners with two equivalent Cr(3)SbAs5 octahedra, corners with four equivalent Cr(1)SbAs5 octahedra, edges with two equivalent Cr(5)Sb2As4 octahedra, edges with two equivalent Cr(10)Sb4As2 octahedra, edges with two equivalent Cr(4)SbAs5 octahedra,  a faceface with one Cr(7)Sb2As4 octahedra, and  a faceface with one Cr(8)Sb4As2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the eleventh Cr site, Cr(11) is bonded to two equivalent Sb(1), one As(3), one As(6), and two equivalent As(1) atoms to form CrSb2As4 octahedra that share corners with two equivalent Cr(9)Sb2As4 octahedra, corners with two equivalent Cr(8)Sb4As2 octahedra, corners with two equivalent Cr(1)SbAs5 octahedra, corners with two equivalent Cr(3)SbAs5 octahedra, corners with four equivalent Cr(2)Sb2As4 octahedra, edges with two equivalent Cr(11)Sb2As4 octahedra, edges with two equivalent Cr(5)Sb2As4 octahedra, edges with two equivalent Cr(6)SbAs5 octahedra,  a faceface with one Cr(9)Sb2As4 octahedra, and  a faceface with one Cr(8)Sb4As2 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. In the twelfth Cr site, Cr(12) is bonded to two equivalent Sb(2), one As(4), one As(7), and two equivalent As(2) atoms to form CrSb2As4 octahedra that share corners with two equivalent Cr(2)Sb2As4 octahedra, corners with two equivalent Cr(7)Sb2As4 octahedra, corners with two equivalent Cr(9)Sb2As4 octahedra, corners with two equivalent Cr(1)SbAs5 octahedra, corners with four equivalent Cr(3)SbAs5 octahedra, edges with two equivalent Cr(12)Sb2As4 octahedra, edges with two equivalent Cr(4)SbAs5 octahedra, edges with two equivalent Cr(6)SbAs5 octahedra,  a faceface with one Cr(7)Sb2As4 octahedra, and  a faceface with one Cr(9)Sb2As4 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Cr(1), one Cr(5), two equivalent Cr(11), and two equivalent Cr(8) atoms. In the second Sb site, Sb(2) is bonded to one Cr(2), one Cr(6), two equivalent Cr(12), and two equivalent Cr(9) atoms to form distorted SbCr6 pentagonal pyramids that share  a cornercorner with one Sb(4)Cr6 pentagonal pyramid, edges with two equivalent Sb(2)Cr6 pentagonal pyramids, edges with two equivalent As(6)Cr6 pentagonal pyramids, and edges with two equivalent As(7)Cr6 pentagonal pyramids. In the third Sb site, Sb(3) is bonded to one Cr(3), one Cr(4), two equivalent Cr(10), and two equivalent Cr(7) atoms to form distorted SbCr6 pentagonal pyramids that share corners with two equivalent Sb(4)Cr6 pentagonal pyramids,  an edgeedge with one Sb(4)Cr6 pentagonal pyramid, edges with two equivalent Sb(3)Cr6 pentagonal pyramids, edges with two equivalent As(5)Cr6 pentagonal pyramids, edges with two equivalent As(7)Cr6 pentagonal pyramids, and edges with two equivalent As(8)Cr6 pentagonal pyramids. In the fourth Sb site, Sb(4) is bonded to one Cr(2), one Cr(5), two equivalent Cr(10), and two equivalent Cr(8) atoms to form distorted SbCr6 pentagonal pyramids that share  a cornercorner with one Sb(2)Cr6 pentagonal pyramid, corners with two equivalent Sb(3)Cr6 pentagonal pyramids,  an edgeedge with one Sb(3)Cr6 pentagonal pyramid, edges with two equivalent Sb(4)Cr6 pentagonal pyramids, edges with two equivalent As(5)Cr6 pentagonal pyramids, edges with two equivalent As(6)Cr6 pentagonal pyramids, and edges with two equivalent As(8)Cr6 pentagonal pyramids. There are eight inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to one Cr(3), one Cr(6), two equivalent Cr(11), and two equivalent Cr(9) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to one Cr(1), one Cr(4), two equivalent Cr(12), and two equivalent Cr(7) atoms. In the third As site, As(3) is bonded in a 6-coordinate geometry to one Cr(11), one Cr(9), two equivalent Cr(2), and two equivalent Cr(5) atoms. In the fourth As site, As(4) is bonded in a 6-coordinate geometry to one Cr(12), one Cr(7), two equivalent Cr(3), and two equivalent Cr(6) atoms. In the fifth As site, As(5) is bonded to one Cr(10), one Cr(8), two equivalent Cr(1), and two equivalent Cr(4) atoms to form distorted AsCr6 pentagonal pyramids that share  a cornercorner with one As(6)Cr6 pentagonal pyramid, corners with two equivalent As(7)Cr6 pentagonal pyramids, corners with three equivalent As(8)Cr6 pentagonal pyramids,  an edgeedge with one As(7)Cr6 pentagonal pyramid,  an edgeedge with one As(8)Cr6 pentagonal pyramid, edges with two equivalent Sb(3)Cr6 pentagonal pyramids, edges with two equivalent Sb(4)Cr6 pentagonal pyramids, and edges with two equivalent As(5)Cr6 pentagonal pyramids. In the sixth As site, As(6) is bonded to one Cr(11), one Cr(8), two equivalent Cr(2), and two equivalent Cr(6) atoms to form distorted AsCr6 pentagonal pyramids that share  a cornercorner with one As(5)Cr6 pentagonal pyramid, edges with two equivalent Sb(2)Cr6 pentagonal pyramids, edges with two equivalent Sb(4)Cr6 pentagonal pyramids, and edges with two equivalent As(6)Cr6 pentagonal pyramids. In the seventh As site, As(7) is bonded to one Cr(12), one Cr(9), two equivalent Cr(3), and two equivalent Cr(4) atoms to form distorted AsCr6 pentagonal pyramids that share corners with two equivalent As(5)Cr6 pentagonal pyramids,  an edgeedge with one As(5)Cr6 pentagonal pyramid, edges with two equivalent Sb(2)Cr6 pentagonal pyramids, edges with two equivalent Sb(3)Cr6 pentagonal pyramids, and edges with two equivalent As(7)Cr6 pentagonal pyramids. In the eighth As site, As(8) is bonded to one Cr(10), one Cr(7), two equivalent Cr(1), and two equivalent Cr(5) atoms to form distorted AsCr6 pentagonal pyramids that share corners with three equivalent As(5)Cr6 pentagonal pyramids,  an edgeedge with one As(5)Cr6 pentagonal pyramid, edges with two equivalent Sb(3)Cr6 pentagonal pyramids, edges with two equivalent Sb(4)Cr6 pentagonal pyramids, and edges with two equivalent As(8)Cr6 pentagonal pyramids. is represented by the CIF card [CIF]
data_Cr3SbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.743
_cell_length_b   8.896
_cell_length_c   13.767
_cell_angle_alpha   75.055
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   442.847
_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
  Cr  Cr0  1  0.000  0.012  0.744  1.0
  Cr  Cr1  1  0.000  0.329  0.085  1.0
  Cr  Cr2  1  0.000  0.677  0.407  1.0
  Cr  Cr3  1  0.000  0.844  0.581  1.0
  Cr  Cr4  1  0.000  0.164  0.920  1.0
  Cr  Cr5  1  0.000  0.509  0.248  1.0
  Cr  Cr6  1  0.500  0.315  0.587  1.0
  Cr  Cr7  1  0.500  0.666  0.917  1.0
  Cr  Cr8  1  0.500  0.985  0.252  1.0
  Cr  Cr9  1  0.500  0.511  0.744  1.0
  Cr  Cr10  1  0.500  0.824  0.093  1.0
  Cr  Cr11  1  0.500  0.162  0.427  1.0
  Sb  Sb12  1  0.000  0.861  0.945  1.0
  Sb  Sb13  1  0.000  0.192  0.282  1.0
  Sb  Sb14  1  0.000  0.529  0.603  1.0
  Sb  Sb15  1  0.000  0.472  0.886  1.0
  As  As16  1  0.000  0.805  0.220  1.0
  As  As17  1  0.000  0.138  0.556  1.0
  As  As18  1  0.500  0.133  0.059  1.0
  As  As19  1  0.500  0.473  0.389  1.0
  As  As20  1  0.500  0.812  0.722  1.0
  As  As21  1  0.500  0.524  0.110  1.0
  As  As22  1  0.500  0.863  0.444  1.0
  As  As23  1  0.500  0.201  0.780  1.0
[/CIF]
.
The material structure described by Cr3SbAs2 is Caswellsilverite-like structured and crystallizes in the monoclinic Pm space group. There are twelve inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one Sb(1), one As(2), two equivalent As(5), and two equivalent As(8) atoms to form CrSbAs5 octahedra that share corners with two equivalent Cr(11)Sb2As4 octahedra, corners with two equivalent Cr(12)Sb2As4 octahedra, corners with two equivalent Cr(5)Sb2As4 octahedra, corners with two equivalent Cr(4)SbAs5 octahedra, corners with four equivalent Cr(10)Sb4As2 octahedra, edges with two equivalent Cr(7)Sb2As4 octahedra, edges with two equivalent Cr(8)Sb4As2 octahedra, edges with two equivalent Cr(1)SbAs5 octahedra,  a faceface with one Cr(5)Sb2As4 octahedra, and  a faceface with one Cr(4)SbAs5 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second Cr site, Cr(2) is bonded to one Sb(2), one Sb(4), two equivalent As(3), and two equivalent As(6) atoms to form CrSb2As4 octahedra that share corners with two equivalent Cr(12)Sb2As4 octahedra, corners with two equivalent Cr(5)Sb2As4 octahedra, corners with two equivalent Cr(10)Sb4As2 octahedra, corners with two equivalent Cr(6)SbAs5 octahedra, corners with four equivalent Cr(11)Sb2As4 octahedra, edges with two equivalent Cr(2)Sb2As4 octahedra, edges with two equivalent Cr(9)Sb2As4 octahedra, edges with two equivalent Cr(8)Sb4As2 octahedra,  a faceface with one Cr(5)Sb2As4 octahedra, and  a faceface with one Cr(6)SbAs5 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the third Cr site, Cr(3) is bonded to one Sb(3), one As(1), two equivalent As(4), and two equivalent As(7) atoms to form CrSbAs5 octahedra that share corners with two equivalent Cr(11)Sb2As4 octahedra, corners with two equivalent Cr(10)Sb4As2 octahedra, corners with two equivalent Cr(4)SbAs5 octahedra, corners with two equivalent Cr(6)SbAs5 octahedra, corners with four equivalent Cr(12)Sb2As4 octahedra, edges with two equivalent Cr(7)Sb2As4 octahedra, edges with two equivalent Cr(9)Sb2As4 octahedra, edges with two equivalent Cr(3)SbAs5 octahedra,  a faceface with one Cr(4)SbAs5 octahedra, and  a faceface with one Cr(6)SbAs5 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. In the fourth Cr site, Cr(4) is bonded to one Sb(3), one As(2), two equivalent As(5), and two equivalent As(7) atoms to form CrSbAs5 octahedra that share corners with two equivalent Cr(9)Sb2As4 octahedra, corners with two equivalent Cr(8)Sb4As2 octahedra, corners with two equivalent Cr(1)SbAs5 octahedra, corners with two equivalent Cr(3)SbAs5 octahedra, corners with four equivalent Cr(7)Sb2As4 octahedra, edges with two equivalent Cr(12)Sb2As4 octahedra, edges with two equivalent Cr(10)Sb4As2 octahedra, edges with two equivalent Cr(4)SbAs5 octahedra,  a faceface with one Cr(1)SbAs5 octahedra, and  a faceface with one Cr(3)SbAs5 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. In the fifth Cr site, Cr(5) is bonded to one Sb(1), one Sb(4), two equivalent As(3), and two equivalent As(8) atoms to form CrSb2As4 octahedra that share corners with two equivalent Cr(2)Sb2As4 octahedra, corners with two equivalent Cr(7)Sb2As4 octahedra, corners with two equivalent Cr(9)Sb2As4 octahedra, corners with two equivalent Cr(1)SbAs5 octahedra, corners with four equivalent Cr(8)Sb4As2 octahedra, edges with two equivalent Cr(11)Sb2As4 octahedra, edges with two equivalent Cr(5)Sb2As4 octahedra, edges with two equivalent Cr(10)Sb4As2 octahedra,  a faceface with one Cr(2)Sb2As4 octahedra, and  a faceface with one Cr(1)SbAs5 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the sixth Cr site, Cr(6) is bonded to one Sb(2), one As(1), two equivalent As(4), and two equivalent As(6) atoms to form CrSbAs5 octahedra that share corners with two equivalent Cr(2)Sb2As4 octahedra, corners with two equivalent Cr(7)Sb2As4 octahedra, corners with two equivalent Cr(8)Sb4As2 octahedra, corners with two equivalent Cr(3)SbAs5 octahedra, corners with four equivalent Cr(9)Sb2As4 octahedra, edges with two equivalent Cr(11)Sb2As4 octahedra, edges with two equivalent Cr(12)Sb2As4 octahedra, edges with two equivalent Cr(6)SbAs5 octahedra,  a faceface with one Cr(2)Sb2As4 octahedra, and  a faceface with one Cr(3)SbAs5 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the seventh Cr site, Cr(7) is bonded to two equivalent Sb(3), one As(4), one As(8), and two equivalent As(2) atoms to form distorted CrSb2As4 octahedra that share corners with two equivalent Cr(12)Sb2As4 octahedra, corners with two equivalent Cr(5)Sb2As4 octahedra, corners with two equivalent Cr(10)Sb4As2 octahedra, corners with two equivalent Cr(6)SbAs5 octahedra, corners with four equivalent Cr(4)SbAs5 octahedra, edges with two equivalent Cr(7)Sb2As4 octahedra, edges with two equivalent Cr(1)SbAs5 octahedra, edges with two equivalent Cr(3)SbAs5 octahedra,  a faceface with one Cr(12)Sb2As4 octahedra, and  a faceface with one Cr(10)Sb4As2 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the eighth Cr site, Cr(8) is bonded to two equivalent Sb(1), two equivalent Sb(4), one As(5), and one As(6) atom to form CrSb4As2 octahedra that share corners with two equivalent Cr(11)Sb2As4 octahedra, corners with two equivalent Cr(10)Sb4As2 octahedra, corners with two equivalent Cr(4)SbAs5 octahedra, corners with two equivalent Cr(6)SbAs5 octahedra, corners with four equivalent Cr(5)Sb2As4 octahedra, edges with two equivalent Cr(2)Sb2As4 octahedra, edges with two equivalent Cr(8)Sb4As2 octahedra, edges with two equivalent Cr(1)SbAs5 octahedra,  a faceface with one Cr(11)Sb2As4 octahedra, and  a faceface with one Cr(10)Sb4As2 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the ninth Cr site, Cr(9) is bonded to two equivalent Sb(2), one As(3), one As(7), and two equivalent As(1) atoms to form CrSb2As4 octahedra that share corners with two equivalent Cr(11)Sb2As4 octahedra, corners with two equivalent Cr(12)Sb2As4 octahedra, corners with two equivalent Cr(5)Sb2As4 octahedra, corners with two equivalent Cr(4)SbAs5 octahedra, corners with four equivalent Cr(6)SbAs5 octahedra, edges with two equivalent Cr(2)Sb2As4 octahedra, edges with two equivalent Cr(9)Sb2As4 octahedra, edges with two equivalent Cr(3)SbAs5 octahedra,  a faceface with one Cr(11)Sb2As4 octahedra, and  a faceface with one Cr(12)Sb2As4 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. In the tenth Cr site, Cr(10) is bonded to two equivalent Sb(3), two equivalent Sb(4), one As(5), and one As(8) atom to form CrSb4As2 octahedra that share corners with two equivalent Cr(2)Sb2As4 octahedra, corners with two equivalent Cr(7)Sb2As4 octahedra, corners with two equivalent Cr(8)Sb4As2 octahedra, corners with two equivalent Cr(3)SbAs5 octahedra, corners with four equivalent Cr(1)SbAs5 octahedra, edges with two equivalent Cr(5)Sb2As4 octahedra, edges with two equivalent Cr(10)Sb4As2 octahedra, edges with two equivalent Cr(4)SbAs5 octahedra,  a faceface with one Cr(7)Sb2As4 octahedra, and  a faceface with one Cr(8)Sb4As2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the eleventh Cr site, Cr(11) is bonded to two equivalent Sb(1), one As(3), one As(6), and two equivalent As(1) atoms to form CrSb2As4 octahedra that share corners with two equivalent Cr(9)Sb2As4 octahedra, corners with two equivalent Cr(8)Sb4As2 octahedra, corners with two equivalent Cr(1)SbAs5 octahedra, corners with two equivalent Cr(3)SbAs5 octahedra, corners with four equivalent Cr(2)Sb2As4 octahedra, edges with two equivalent Cr(11)Sb2As4 octahedra, edges with two equivalent Cr(5)Sb2As4 octahedra, edges with two equivalent Cr(6)SbAs5 octahedra,  a faceface with one Cr(9)Sb2As4 octahedra, and  a faceface with one Cr(8)Sb4As2 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. In the twelfth Cr site, Cr(12) is bonded to two equivalent Sb(2), one As(4), one As(7), and two equivalent As(2) atoms to form CrSb2As4 octahedra that share corners with two equivalent Cr(2)Sb2As4 octahedra, corners with two equivalent Cr(7)Sb2As4 octahedra, corners with two equivalent Cr(9)Sb2As4 octahedra, corners with two equivalent Cr(1)SbAs5 octahedra, corners with four equivalent Cr(3)SbAs5 octahedra, edges with two equivalent Cr(12)Sb2As4 octahedra, edges with two equivalent Cr(4)SbAs5 octahedra, edges with two equivalent Cr(6)SbAs5 octahedra,  a faceface with one Cr(7)Sb2As4 octahedra, and  a faceface with one Cr(9)Sb2As4 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Cr(1), one Cr(5), two equivalent Cr(11), and two equivalent Cr(8) atoms. In the second Sb site, Sb(2) is bonded to one Cr(2), one Cr(6), two equivalent Cr(12), and two equivalent Cr(9) atoms to form distorted SbCr6 pentagonal pyramids that share  a cornercorner with one Sb(4)Cr6 pentagonal pyramid, edges with two equivalent Sb(2)Cr6 pentagonal pyramids, edges with two equivalent As(6)Cr6 pentagonal pyramids, and edges with two equivalent As(7)Cr6 pentagonal pyramids. In the third Sb site, Sb(3) is bonded to one Cr(3), one Cr(4), two equivalent Cr(10), and two equivalent Cr(7) atoms to form distorted SbCr6 pentagonal pyramids that share corners with two equivalent Sb(4)Cr6 pentagonal pyramids,  an edgeedge with one Sb(4)Cr6 pentagonal pyramid, edges with two equivalent Sb(3)Cr6 pentagonal pyramids, edges with two equivalent As(5)Cr6 pentagonal pyramids, edges with two equivalent As(7)Cr6 pentagonal pyramids, and edges with two equivalent As(8)Cr6 pentagonal pyramids. In the fourth Sb site, Sb(4) is bonded to one Cr(2), one Cr(5), two equivalent Cr(10), and two equivalent Cr(8) atoms to form distorted SbCr6 pentagonal pyramids that share  a cornercorner with one Sb(2)Cr6 pentagonal pyramid, corners with two equivalent Sb(3)Cr6 pentagonal pyramids,  an edgeedge with one Sb(3)Cr6 pentagonal pyramid, edges with two equivalent Sb(4)Cr6 pentagonal pyramids, edges with two equivalent As(5)Cr6 pentagonal pyramids, edges with two equivalent As(6)Cr6 pentagonal pyramids, and edges with two equivalent As(8)Cr6 pentagonal pyramids. There are eight inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to one Cr(3), one Cr(6), two equivalent Cr(11), and two equivalent Cr(9) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to one Cr(1), one Cr(4), two equivalent Cr(12), and two equivalent Cr(7) atoms. In the third As site, As(3) is bonded in a 6-coordinate geometry to one Cr(11), one Cr(9), two equivalent Cr(2), and two equivalent Cr(5) atoms. In the fourth As site, As(4) is bonded in a 6-coordinate geometry to one Cr(12), one Cr(7), two equivalent Cr(3), and two equivalent Cr(6) atoms. In the fifth As site, As(5) is bonded to one Cr(10), one Cr(8), two equivalent Cr(1), and two equivalent Cr(4) atoms to form distorted AsCr6 pentagonal pyramids that share  a cornercorner with one As(6)Cr6 pentagonal pyramid, corners with two equivalent As(7)Cr6 pentagonal pyramids, corners with three equivalent As(8)Cr6 pentagonal pyramids,  an edgeedge with one As(7)Cr6 pentagonal pyramid,  an edgeedge with one As(8)Cr6 pentagonal pyramid, edges with two equivalent Sb(3)Cr6 pentagonal pyramids, edges with two equivalent Sb(4)Cr6 pentagonal pyramids, and edges with two equivalent As(5)Cr6 pentagonal pyramids. In the sixth As site, As(6) is bonded to one Cr(11), one Cr(8), two equivalent Cr(2), and two equivalent Cr(6) atoms to form distorted AsCr6 pentagonal pyramids that share  a cornercorner with one As(5)Cr6 pentagonal pyramid, edges with two equivalent Sb(2)Cr6 pentagonal pyramids, edges with two equivalent Sb(4)Cr6 pentagonal pyramids, and edges with two equivalent As(6)Cr6 pentagonal pyramids. In the seventh As site, As(7) is bonded to one Cr(12), one Cr(9), two equivalent Cr(3), and two equivalent Cr(4) atoms to form distorted AsCr6 pentagonal pyramids that share corners with two equivalent As(5)Cr6 pentagonal pyramids,  an edgeedge with one As(5)Cr6 pentagonal pyramid, edges with two equivalent Sb(2)Cr6 pentagonal pyramids, edges with two equivalent Sb(3)Cr6 pentagonal pyramids, and edges with two equivalent As(7)Cr6 pentagonal pyramids. In the eighth As site, As(8) is bonded to one Cr(10), one Cr(7), two equivalent Cr(1), and two equivalent Cr(5) atoms to form distorted AsCr6 pentagonal pyramids that share corners with three equivalent As(5)Cr6 pentagonal pyramids,  an edgeedge with one As(5)Cr6 pentagonal pyramid, edges with two equivalent Sb(3)Cr6 pentagonal pyramids, edges with two equivalent Sb(4)Cr6 pentagonal pyramids, and edges with two equivalent As(8)Cr6 pentagonal pyramids. is represented by the CIF card [CIF]
data_Cr3SbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.743
_cell_length_b   8.896
_cell_length_c   13.767
_cell_angle_alpha   75.055
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   442.847
_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
  Cr  Cr0  1  0.000  0.012  0.744  1.0
  Cr  Cr1  1  0.000  0.329  0.085  1.0
  Cr  Cr2  1  0.000  0.677  0.407  1.0
  Cr  Cr3  1  0.000  0.844  0.581  1.0
  Cr  Cr4  1  0.000  0.164  0.920  1.0
  Cr  Cr5  1  0.000  0.509  0.248  1.0
  Cr  Cr6  1  0.500  0.315  0.587  1.0
  Cr  Cr7  1  0.500  0.666  0.917  1.0
  Cr  Cr8  1  0.500  0.985  0.252  1.0
  Cr  Cr9  1  0.500  0.511  0.744  1.0
  Cr  Cr10  1  0.500  0.824  0.093  1.0
  Cr  Cr11  1  0.500  0.162  0.427  1.0
  Sb  Sb12  1  0.000  0.861  0.945  1.0
  Sb  Sb13  1  0.000  0.192  0.282  1.0
  Sb  Sb14  1  0.000  0.529  0.603  1.0
  Sb  Sb15  1  0.000  0.472  0.886  1.0
  As  As16  1  0.000  0.805  0.220  1.0
  As  As17  1  0.000  0.138  0.556  1.0
  As  As18  1  0.500  0.133  0.059  1.0
  As  As19  1  0.500  0.473  0.389  1.0
  As  As20  1  0.500  0.812  0.722  1.0
  As  As21  1  0.500  0.524  0.110  1.0
  As  As22  1  0.500  0.863  0.444  1.0
  As  As23  1  0.500  0.201  0.780  1.0
[/CIF]
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