The structure described by CrMn2Se3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. Cr(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form CrSe6 octahedra that share corners with two equivalent Cr(1)Se6 octahedra, corners with four equivalent Mn(1)Se6 octahedra, edges with two equivalent Cr(1)Se6 octahedra, and edges with ten equivalent Mn(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Mn(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form MnSe6 octahedra that share corners with two equivalent Cr(1)Se6 octahedra, corners with four equivalent Mn(1)Se6 octahedra, edges with five equivalent Cr(1)Se6 octahedra, and edges with seven equivalent Mn(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Cr(1) and four equivalent Mn(1) atoms to form a mixture of corner and edge-sharing SeMn4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Se site, Se(2) is bonded to two equivalent Cr(1) and four equivalent Mn(1) atoms to form a mixture of corner and edge-sharing SeMn4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_Mn2CrSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.545
_cell_length_b   6.545
_cell_length_c   6.545
_cell_angle_alpha   146.199
_cell_angle_beta   131.125
_cell_angle_gamma   60.746
_symmetry_Int_Tables_number   1
_cell_volume   116.364
_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  0.667  0.667  0.000  1.0
  Mn  Mn1  1  0.333  0.333  0.000  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  Se  Se3  1  0.838  0.338  0.500  1.0
  Se  Se4  1  0.500  0.000  0.500  1.0
  Se  Se5  1  0.162  0.662  0.500  1.0
[/CIF]
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The structure described by CrMn2Se3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. Cr(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form CrSe6 octahedra that share corners with two equivalent Cr(1)Se6 octahedra, corners with four equivalent Mn(1)Se6 octahedra, edges with two equivalent Cr(1)Se6 octahedra, and edges with ten equivalent Mn(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Mn(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form MnSe6 octahedra that share corners with two equivalent Cr(1)Se6 octahedra, corners with four equivalent Mn(1)Se6 octahedra, edges with five equivalent Cr(1)Se6 octahedra, and edges with seven equivalent Mn(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Cr(1) and four equivalent Mn(1) atoms to form a mixture of corner and edge-sharing SeMn4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Se site, Se(2) is bonded to two equivalent Cr(1) and four equivalent Mn(1) atoms to form a mixture of corner and edge-sharing SeMn4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_Mn2CrSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.545
_cell_length_b   6.545
_cell_length_c   6.545
_cell_angle_alpha   146.199
_cell_angle_beta   131.125
_cell_angle_gamma   60.746
_symmetry_Int_Tables_number   1
_cell_volume   116.364
_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  0.667  0.667  0.000  1.0
  Mn  Mn1  1  0.333  0.333  0.000  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  Se  Se3  1  0.838  0.338  0.500  1.0
  Se  Se4  1  0.500  0.000  0.500  1.0
  Se  Se5  1  0.162  0.662  0.500  1.0
[/CIF]
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