The compound described by CrMnSeS is Caswellsilverite-derived structured and crystallizes in the trigonal R3m space group. Cr(1) is bonded to three equivalent Se(1) and three equivalent S(1) atoms to form CrSe3S3 octahedra that share corners with six equivalent Mn(1)Se3S3 octahedra, edges with six equivalent Cr(1)Se3S3 octahedra, and edges with six equivalent Mn(1)Se3S3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. Mn(1) is bonded to three equivalent Se(1) and three equivalent S(1) atoms to form MnSe3S3 octahedra that share corners with six equivalent Cr(1)Se3S3 octahedra, edges with six equivalent Cr(1)Se3S3 octahedra, and edges with six equivalent Mn(1)Se3S3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. Se(1) is bonded to three equivalent Cr(1) and three equivalent Mn(1) atoms to form SeMn3Cr3 octahedra that share corners with six equivalent S(1)Mn3Cr3 octahedra, edges with six equivalent Se(1)Mn3Cr3 octahedra, and edges with six equivalent S(1)Mn3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. S(1) is bonded to three equivalent Cr(1) and three equivalent Mn(1) atoms to form SMn3Cr3 octahedra that share corners with six equivalent Se(1)Mn3Cr3 octahedra, edges with six equivalent Se(1)Mn3Cr3 octahedra, and edges with six equivalent S(1)Mn3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. is represented by the CIF card [CIF]
data_MnCrSeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.255
_cell_length_b   6.255
_cell_length_c   6.255
_cell_angle_alpha   34.531
_cell_angle_beta   34.531
_cell_angle_gamma   34.531
_symmetry_Int_Tables_number   1
_cell_volume   70.159
_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
  Mn  Mn0  1  0.489  0.489  0.489  1.0
  Cr  Cr1  1  0.009  0.009  0.009  1.0
  Se  Se2  1  0.254  0.254  0.254  1.0
  S  S3  1  0.749  0.749  0.749  1.0
[/CIF]
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The compound described by CrMnSeS is Caswellsilverite-derived structured and crystallizes in the trigonal R3m space group. Cr(1) is bonded to three equivalent Se(1) and three equivalent S(1) atoms to form CrSe3S3 octahedra that share corners with six equivalent Mn(1)Se3S3 octahedra, edges with six equivalent Cr(1)Se3S3 octahedra, and edges with six equivalent Mn(1)Se3S3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. Mn(1) is bonded to three equivalent Se(1) and three equivalent S(1) atoms to form MnSe3S3 octahedra that share corners with six equivalent Cr(1)Se3S3 octahedra, edges with six equivalent Cr(1)Se3S3 octahedra, and edges with six equivalent Mn(1)Se3S3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. Se(1) is bonded to three equivalent Cr(1) and three equivalent Mn(1) atoms to form SeMn3Cr3 octahedra that share corners with six equivalent S(1)Mn3Cr3 octahedra, edges with six equivalent Se(1)Mn3Cr3 octahedra, and edges with six equivalent S(1)Mn3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. S(1) is bonded to three equivalent Cr(1) and three equivalent Mn(1) atoms to form SMn3Cr3 octahedra that share corners with six equivalent Se(1)Mn3Cr3 octahedra, edges with six equivalent Se(1)Mn3Cr3 octahedra, and edges with six equivalent S(1)Mn3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. is represented by the CIF card [CIF]
data_MnCrSeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.255
_cell_length_b   6.255
_cell_length_c   6.255
_cell_angle_alpha   34.531
_cell_angle_beta   34.531
_cell_angle_gamma   34.531
_symmetry_Int_Tables_number   1
_cell_volume   70.159
_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
  Mn  Mn0  1  0.489  0.489  0.489  1.0
  Cr  Cr1  1  0.009  0.009  0.009  1.0
  Se  Se2  1  0.254  0.254  0.254  1.0
  S  S3  1  0.749  0.749  0.749  1.0
[/CIF]
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