The structure described by CsSmZnSe3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Se(1) and six equivalent Se(2) atoms. Sm(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form SmSe6 octahedra that share corners with two equivalent Sm(1)Se6 octahedra, edges with two equivalent Sm(1)Se6 octahedra, and edges with four equivalent Zn(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. Zn(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form ZnSe4 tetrahedra that share corners with two equivalent Zn(1)Se4 tetrahedra and edges with four equivalent Sm(1)Se6 octahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Sm(1), and two equivalent Zn(1) atoms. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to three equivalent Cs(1), two equivalent Sm(1), and one Zn(1) atom. is represented by the CIF card [CIF]
data_CsSmZnSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.245
_cell_length_b   8.404
_cell_length_c   11.233
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.630
_symmetry_Int_Tables_number   1
_cell_volume   387.803
_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  0.258  0.517  0.250  1.0
  Cs  Cs1  1  0.742  0.483  0.750  1.0
  Sm  Sm2  1  0.000  0.000  0.000  1.0
  Sm  Sm3  1  0.000  0.000  0.500  1.0
  Zn  Zn4  1  0.540  0.079  0.250  1.0
  Zn  Zn5  1  0.460  0.921  0.750  1.0
  Se  Se6  1  0.054  0.108  0.750  1.0
  Se  Se7  1  0.382  0.764  0.563  1.0
  Se  Se8  1  0.618  0.236  0.437  1.0
  Se  Se9  1  0.618  0.236  0.063  1.0
  Se  Se10  1  0.946  0.892  0.250  1.0
  Se  Se11  1  0.382  0.764  0.937  1.0
[/CIF]
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The structure described by CsSmZnSe3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Se(1) and six equivalent Se(2) atoms. Sm(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form SmSe6 octahedra that share corners with two equivalent Sm(1)Se6 octahedra, edges with two equivalent Sm(1)Se6 octahedra, and edges with four equivalent Zn(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. Zn(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form ZnSe4 tetrahedra that share corners with two equivalent Zn(1)Se4 tetrahedra and edges with four equivalent Sm(1)Se6 octahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Sm(1), and two equivalent Zn(1) atoms. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to three equivalent Cs(1), two equivalent Sm(1), and one Zn(1) atom. is represented by the CIF card [CIF]
data_CsSmZnSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.245
_cell_length_b   8.404
_cell_length_c   11.233
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.630
_symmetry_Int_Tables_number   1
_cell_volume   387.803
_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  0.258  0.517  0.250  1.0
  Cs  Cs1  1  0.742  0.483  0.750  1.0
  Sm  Sm2  1  0.000  0.000  0.000  1.0
  Sm  Sm3  1  0.000  0.000  0.500  1.0
  Zn  Zn4  1  0.540  0.079  0.250  1.0
  Zn  Zn5  1  0.460  0.921  0.750  1.0
  Se  Se6  1  0.054  0.108  0.750  1.0
  Se  Se7  1  0.382  0.764  0.563  1.0
  Se  Se8  1  0.618  0.236  0.437  1.0
  Se  Se9  1  0.618  0.236  0.063  1.0
  Se  Se10  1  0.946  0.892  0.250  1.0
  Se  Se11  1  0.382  0.764  0.937  1.0
[/CIF]
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