The material structure described by CrSiW crystallizes in the orthorhombic Amm2 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 12-coordinate geometry to three equivalent W(2), three equivalent Cr(1), four equivalent Cr(2), one Si(3), two equivalent Si(1), and two equivalent Si(2) atoms. In the second W site, W(2) is bonded in a 16-coordinate geometry to one W(2), three equivalent W(1), two equivalent Cr(2), three equivalent Cr(1), one Si(1), two equivalent Si(3), and four equivalent Si(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent W(1), three equivalent W(2), two equivalent Cr(2), one Si(1), one Si(3), and two equivalent Si(2) atoms to form CrCr2Si4W6 cuboctahedra that share corners with two equivalent Si(3)Cr2Si4W6 cuboctahedra, corners with two equivalent Si(1)Cr6W6 cuboctahedra, corners with four equivalent Cr(2)Cr4Si2W6 cuboctahedra, corners with four equivalent Si(2)Cr2Si4W6 cuboctahedra, edges with six equivalent Cr(1)Cr2Si4W6 cuboctahedra, faces with two equivalent Cr(1)Cr2Si4W6 cuboctahedra, faces with three equivalent Si(3)Cr2Si4W6 cuboctahedra, faces with three equivalent Si(1)Cr6W6 cuboctahedra, faces with six equivalent Cr(2)Cr4Si2W6 cuboctahedra, and faces with six equivalent Si(2)Cr2Si4W6 cuboctahedra. In the second Cr site, Cr(2) is bonded to two equivalent W(2), four equivalent W(1), two equivalent Cr(1), two equivalent Cr(2), and two equivalent Si(1) atoms to form distorted CrCr4Si2W6 cuboctahedra that share corners with four equivalent Cr(1)Cr2Si4W6 cuboctahedra, corners with four equivalent Cr(2)Cr4Si2W6 cuboctahedra, corners with four equivalent Si(3)Cr2Si4W6 cuboctahedra, corners with six equivalent Si(2)Cr2Si4W6 cuboctahedra, edges with two equivalent Cr(2)Cr4Si2W6 cuboctahedra, edges with four equivalent Si(2)Cr2Si4W6 cuboctahedra, faces with two equivalent Si(2)Cr2Si4W6 cuboctahedra, faces with two equivalent Si(3)Cr2Si4W6 cuboctahedra, faces with four equivalent Cr(2)Cr4Si2W6 cuboctahedra, faces with four equivalent Si(1)Cr6W6 cuboctahedra, and faces with six equivalent Cr(1)Cr2Si4W6 cuboctahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent W(2), four equivalent W(1), two equivalent Cr(1), and four equivalent Cr(2) atoms to form SiCr6W6 cuboctahedra that share corners with two equivalent Si(3)Cr2Si4W6 cuboctahedra, corners with four equivalent Cr(1)Cr2Si4W6 cuboctahedra, corners with four equivalent Si(1)Cr6W6 cuboctahedra, corners with eight equivalent Si(2)Cr2Si4W6 cuboctahedra, edges with two equivalent Si(1)Cr6W6 cuboctahedra, edges with four equivalent Si(3)Cr2Si4W6 cuboctahedra, faces with four equivalent Si(2)Cr2Si4W6 cuboctahedra, faces with six equivalent Cr(1)Cr2Si4W6 cuboctahedra, and faces with eight equivalent Cr(2)Cr4Si2W6 cuboctahedra. In the second Si site, Si(2) is bonded to two equivalent W(1), four equivalent W(2), two equivalent Cr(1), two equivalent Si(2), and two equivalent Si(3) atoms to form distorted SiCr2Si4W6 cuboctahedra that share corners with four equivalent Cr(1)Cr2Si4W6 cuboctahedra, corners with four equivalent Si(2)Cr2Si4W6 cuboctahedra, corners with four equivalent Si(1)Cr6W6 cuboctahedra, corners with six equivalent Cr(2)Cr4Si2W6 cuboctahedra, edges with two equivalent Si(2)Cr2Si4W6 cuboctahedra, edges with four equivalent Cr(2)Cr4Si2W6 cuboctahedra, faces with two equivalent Cr(2)Cr4Si2W6 cuboctahedra, faces with two equivalent Si(1)Cr6W6 cuboctahedra, faces with four equivalent Si(2)Cr2Si4W6 cuboctahedra, faces with four equivalent Si(3)Cr2Si4W6 cuboctahedra, and faces with six equivalent Cr(1)Cr2Si4W6 cuboctahedra. In the third Si site, Si(3) is bonded to two equivalent W(1), four equivalent W(2), two equivalent Cr(1), and four equivalent Si(2) atoms to form distorted SiCr2Si4W6 cuboctahedra that share corners with two equivalent Si(1)Cr6W6 cuboctahedra, corners with four equivalent Cr(1)Cr2Si4W6 cuboctahedra, corners with four equivalent Si(3)Cr2Si4W6 cuboctahedra, corners with eight equivalent Cr(2)Cr4Si2W6 cuboctahedra, edges with two equivalent Si(3)Cr2Si4W6 cuboctahedra, edges with four equivalent Si(1)Cr6W6 cuboctahedra, faces with four equivalent Cr(2)Cr4Si2W6 cuboctahedra, faces with six equivalent Cr(1)Cr2Si4W6 cuboctahedra, and faces with eight equivalent Si(2)Cr2Si4W6 cuboctahedra. is represented by the CIF card [CIF]
data_CrSiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.876
_cell_length_b   4.876
_cell_length_c   7.666
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.732
_symmetry_Int_Tables_number   1
_cell_volume   156.645
_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  0.003  0.997  0.248  1.0
  Cr  Cr1  1  0.003  0.997  0.752  1.0
  Cr  Cr2  1  0.824  0.662  0.000  1.0
  Cr  Cr3  1  0.338  0.176  0.000  1.0
  Si  Si4  1  0.826  0.174  0.000  1.0
  Si  Si5  1  0.169  0.336  0.500  1.0
  Si  Si6  1  0.664  0.831  0.500  1.0
  Si  Si7  1  0.169  0.831  0.500  1.0
  W  W8  1  0.334  0.666  0.190  1.0
  W  W9  1  0.667  0.333  0.322  1.0
  W  W10  1  0.667  0.333  0.678  1.0
  W  W11  1  0.334  0.666  0.810  1.0
[/CIF]
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The material structure described by CrSiW crystallizes in the orthorhombic Amm2 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 12-coordinate geometry to three equivalent W(2), three equivalent Cr(1), four equivalent Cr(2), one Si(3), two equivalent Si(1), and two equivalent Si(2) atoms. In the second W site, W(2) is bonded in a 16-coordinate geometry to one W(2), three equivalent W(1), two equivalent Cr(2), three equivalent Cr(1), one Si(1), two equivalent Si(3), and four equivalent Si(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent W(1), three equivalent W(2), two equivalent Cr(2), one Si(1), one Si(3), and two equivalent Si(2) atoms to form CrCr2Si4W6 cuboctahedra that share corners with two equivalent Si(3)Cr2Si4W6 cuboctahedra, corners with two equivalent Si(1)Cr6W6 cuboctahedra, corners with four equivalent Cr(2)Cr4Si2W6 cuboctahedra, corners with four equivalent Si(2)Cr2Si4W6 cuboctahedra, edges with six equivalent Cr(1)Cr2Si4W6 cuboctahedra, faces with two equivalent Cr(1)Cr2Si4W6 cuboctahedra, faces with three equivalent Si(3)Cr2Si4W6 cuboctahedra, faces with three equivalent Si(1)Cr6W6 cuboctahedra, faces with six equivalent Cr(2)Cr4Si2W6 cuboctahedra, and faces with six equivalent Si(2)Cr2Si4W6 cuboctahedra. In the second Cr site, Cr(2) is bonded to two equivalent W(2), four equivalent W(1), two equivalent Cr(1), two equivalent Cr(2), and two equivalent Si(1) atoms to form distorted CrCr4Si2W6 cuboctahedra that share corners with four equivalent Cr(1)Cr2Si4W6 cuboctahedra, corners with four equivalent Cr(2)Cr4Si2W6 cuboctahedra, corners with four equivalent Si(3)Cr2Si4W6 cuboctahedra, corners with six equivalent Si(2)Cr2Si4W6 cuboctahedra, edges with two equivalent Cr(2)Cr4Si2W6 cuboctahedra, edges with four equivalent Si(2)Cr2Si4W6 cuboctahedra, faces with two equivalent Si(2)Cr2Si4W6 cuboctahedra, faces with two equivalent Si(3)Cr2Si4W6 cuboctahedra, faces with four equivalent Cr(2)Cr4Si2W6 cuboctahedra, faces with four equivalent Si(1)Cr6W6 cuboctahedra, and faces with six equivalent Cr(1)Cr2Si4W6 cuboctahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent W(2), four equivalent W(1), two equivalent Cr(1), and four equivalent Cr(2) atoms to form SiCr6W6 cuboctahedra that share corners with two equivalent Si(3)Cr2Si4W6 cuboctahedra, corners with four equivalent Cr(1)Cr2Si4W6 cuboctahedra, corners with four equivalent Si(1)Cr6W6 cuboctahedra, corners with eight equivalent Si(2)Cr2Si4W6 cuboctahedra, edges with two equivalent Si(1)Cr6W6 cuboctahedra, edges with four equivalent Si(3)Cr2Si4W6 cuboctahedra, faces with four equivalent Si(2)Cr2Si4W6 cuboctahedra, faces with six equivalent Cr(1)Cr2Si4W6 cuboctahedra, and faces with eight equivalent Cr(2)Cr4Si2W6 cuboctahedra. In the second Si site, Si(2) is bonded to two equivalent W(1), four equivalent W(2), two equivalent Cr(1), two equivalent Si(2), and two equivalent Si(3) atoms to form distorted SiCr2Si4W6 cuboctahedra that share corners with four equivalent Cr(1)Cr2Si4W6 cuboctahedra, corners with four equivalent Si(2)Cr2Si4W6 cuboctahedra, corners with four equivalent Si(1)Cr6W6 cuboctahedra, corners with six equivalent Cr(2)Cr4Si2W6 cuboctahedra, edges with two equivalent Si(2)Cr2Si4W6 cuboctahedra, edges with four equivalent Cr(2)Cr4Si2W6 cuboctahedra, faces with two equivalent Cr(2)Cr4Si2W6 cuboctahedra, faces with two equivalent Si(1)Cr6W6 cuboctahedra, faces with four equivalent Si(2)Cr2Si4W6 cuboctahedra, faces with four equivalent Si(3)Cr2Si4W6 cuboctahedra, and faces with six equivalent Cr(1)Cr2Si4W6 cuboctahedra. In the third Si site, Si(3) is bonded to two equivalent W(1), four equivalent W(2), two equivalent Cr(1), and four equivalent Si(2) atoms to form distorted SiCr2Si4W6 cuboctahedra that share corners with two equivalent Si(1)Cr6W6 cuboctahedra, corners with four equivalent Cr(1)Cr2Si4W6 cuboctahedra, corners with four equivalent Si(3)Cr2Si4W6 cuboctahedra, corners with eight equivalent Cr(2)Cr4Si2W6 cuboctahedra, edges with two equivalent Si(3)Cr2Si4W6 cuboctahedra, edges with four equivalent Si(1)Cr6W6 cuboctahedra, faces with four equivalent Cr(2)Cr4Si2W6 cuboctahedra, faces with six equivalent Cr(1)Cr2Si4W6 cuboctahedra, and faces with eight equivalent Si(2)Cr2Si4W6 cuboctahedra. is represented by the CIF card [CIF]
data_CrSiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.876
_cell_length_b   4.876
_cell_length_c   7.666
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.732
_symmetry_Int_Tables_number   1
_cell_volume   156.645
_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  0.003  0.997  0.248  1.0
  Cr  Cr1  1  0.003  0.997  0.752  1.0
  Cr  Cr2  1  0.824  0.662  0.000  1.0
  Cr  Cr3  1  0.338  0.176  0.000  1.0
  Si  Si4  1  0.826  0.174  0.000  1.0
  Si  Si5  1  0.169  0.336  0.500  1.0
  Si  Si6  1  0.664  0.831  0.500  1.0
  Si  Si7  1  0.169  0.831  0.500  1.0
  W  W8  1  0.334  0.666  0.190  1.0
  W  W9  1  0.667  0.333  0.322  1.0
  W  W10  1  0.667  0.333  0.678  1.0
  W  W11  1  0.334  0.666  0.810  1.0
[/CIF]
.