The crystal structure described by CsTbMnSe3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Se(2) and six equivalent Se(1) atoms. Tb(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form TbSe6 octahedra that share corners with two equivalent Tb(1)Se6 octahedra, edges with two equivalent Tb(1)Se6 octahedra, and edges with four equivalent Mn(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. Mn(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form MnSe4 tetrahedra that share corners with two equivalent Mn(1)Se4 tetrahedra and edges with four equivalent Tb(1)Se6 octahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to three equivalent Cs(1), two equivalent Tb(1), and one Mn(1) atom. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Tb(1), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_CsTbMnSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.382
_cell_length_b   8.382
_cell_length_c   11.107
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   150.516
_symmetry_Int_Tables_number   1
_cell_volume   384.109
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.257  0.743  0.250  1.0
  Cs  Cs1  1  0.743  0.257  0.750  1.0
  Tb  Tb2  1  0.000  0.000  0.000  1.0
  Tb  Tb3  1  0.000  0.000  0.500  1.0
  Mn  Mn4  1  0.538  0.462  0.250  1.0
  Mn  Mn5  1  0.462  0.538  0.750  1.0
  Se  Se6  1  0.617  0.383  0.058  1.0
  Se  Se7  1  0.383  0.617  0.942  1.0
  Se  Se8  1  0.383  0.617  0.558  1.0
  Se  Se9  1  0.617  0.383  0.442  1.0
  Se  Se10  1  0.946  0.054  0.250  1.0
  Se  Se11  1  0.054  0.946  0.750  1.0
[/CIF]
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The crystal structure described by CsTbMnSe3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Se(2) and six equivalent Se(1) atoms. Tb(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form TbSe6 octahedra that share corners with two equivalent Tb(1)Se6 octahedra, edges with two equivalent Tb(1)Se6 octahedra, and edges with four equivalent Mn(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. Mn(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form MnSe4 tetrahedra that share corners with two equivalent Mn(1)Se4 tetrahedra and edges with four equivalent Tb(1)Se6 octahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to three equivalent Cs(1), two equivalent Tb(1), and one Mn(1) atom. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Tb(1), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_CsTbMnSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.382
_cell_length_b   8.382
_cell_length_c   11.107
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   150.516
_symmetry_Int_Tables_number   1
_cell_volume   384.109
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.257  0.743  0.250  1.0
  Cs  Cs1  1  0.743  0.257  0.750  1.0
  Tb  Tb2  1  0.000  0.000  0.000  1.0
  Tb  Tb3  1  0.000  0.000  0.500  1.0
  Mn  Mn4  1  0.538  0.462  0.250  1.0
  Mn  Mn5  1  0.462  0.538  0.750  1.0
  Se  Se6  1  0.617  0.383  0.058  1.0
  Se  Se7  1  0.383  0.617  0.942  1.0
  Se  Se8  1  0.383  0.617  0.558  1.0
  Se  Se9  1  0.617  0.383  0.442  1.0
  Se  Se10  1  0.946  0.054  0.250  1.0
  Se  Se11  1  0.054  0.946  0.750  1.0
[/CIF]
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