The compound described by Cr4AgInSe8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Cr(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form CrSe6 octahedra that share corners with three equivalent Ag(1)Se4 tetrahedra, corners with three equivalent In(1)Se4 tetrahedra, and edges with six equivalent Cr(1)Se6 octahedra. Ag(1) is bonded to four equivalent Se(2) atoms to form AgSe4 tetrahedra that share corners with twelve equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 58°. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with twelve equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Cr(1) and one In(1) atom to form SeCr3In tetrahedra that share corners with three equivalent Se(1)Cr3In tetrahedra, corners with nine equivalent Se(2)Cr3Ag trigonal pyramids, and edges with three equivalent Se(1)Cr3In tetrahedra. In the second Se site, Se(2) is bonded to three equivalent Cr(1) and one Ag(1) atom to form distorted SeCr3Ag trigonal pyramids that share corners with nine equivalent Se(1)Cr3In tetrahedra, corners with three equivalent Se(2)Cr3Ag trigonal pyramids, and edges with three equivalent Se(2)Cr3Ag trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr4InAgSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.674
_cell_length_b   7.674
_cell_length_c   7.674
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   319.574
_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  0.379  0.379  0.379  1.0
  Cr  Cr1  1  0.379  0.863  0.379  1.0
  Cr  Cr2  1  0.863  0.379  0.379  1.0
  Cr  Cr3  1  0.379  0.379  0.863  1.0
  In  In4  1  0.000  0.000  0.000  1.0
  Ag  Ag5  1  0.750  0.750  0.750  1.0
  Se  Se6  1  0.140  0.140  0.140  1.0
  Se  Se7  1  0.140  0.579  0.140  1.0
  Se  Se8  1  0.579  0.140  0.140  1.0
  Se  Se9  1  0.140  0.140  0.579  1.0
  Se  Se10  1  0.610  0.610  0.610  1.0
  Se  Se11  1  0.610  0.169  0.610  1.0
  Se  Se12  1  0.169  0.610  0.610  1.0
  Se  Se13  1  0.610  0.610  0.169  1.0
[/CIF]
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The compound described by Cr4AgInSe8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Cr(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form CrSe6 octahedra that share corners with three equivalent Ag(1)Se4 tetrahedra, corners with three equivalent In(1)Se4 tetrahedra, and edges with six equivalent Cr(1)Se6 octahedra. Ag(1) is bonded to four equivalent Se(2) atoms to form AgSe4 tetrahedra that share corners with twelve equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 58°. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with twelve equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Cr(1) and one In(1) atom to form SeCr3In tetrahedra that share corners with three equivalent Se(1)Cr3In tetrahedra, corners with nine equivalent Se(2)Cr3Ag trigonal pyramids, and edges with three equivalent Se(1)Cr3In tetrahedra. In the second Se site, Se(2) is bonded to three equivalent Cr(1) and one Ag(1) atom to form distorted SeCr3Ag trigonal pyramids that share corners with nine equivalent Se(1)Cr3In tetrahedra, corners with three equivalent Se(2)Cr3Ag trigonal pyramids, and edges with three equivalent Se(2)Cr3Ag trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr4InAgSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.674
_cell_length_b   7.674
_cell_length_c   7.674
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   319.574
_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  0.379  0.379  0.379  1.0
  Cr  Cr1  1  0.379  0.863  0.379  1.0
  Cr  Cr2  1  0.863  0.379  0.379  1.0
  Cr  Cr3  1  0.379  0.379  0.863  1.0
  In  In4  1  0.000  0.000  0.000  1.0
  Ag  Ag5  1  0.750  0.750  0.750  1.0
  Se  Se6  1  0.140  0.140  0.140  1.0
  Se  Se7  1  0.140  0.579  0.140  1.0
  Se  Se8  1  0.579  0.140  0.140  1.0
  Se  Se9  1  0.140  0.140  0.579  1.0
  Se  Se10  1  0.610  0.610  0.610  1.0
  Se  Se11  1  0.610  0.169  0.610  1.0
  Se  Se12  1  0.169  0.610  0.610  1.0
  Se  Se13  1  0.610  0.610  0.169  1.0
[/CIF]
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