The material structure described by RbYbZnSe3 crystallizes in the orthorhombic Cmcm space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent Se(2) and six equivalent Se(1) atoms. Yb(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form YbSe6 octahedra that share corners with two equivalent Yb(1)Se6 octahedra, edges with two equivalent Yb(1)Se6 octahedra, and edges with four equivalent Zn(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. 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 Yb(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 Rb(1), two equivalent Yb(1), and one Zn(1) atom. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Yb(1), and two equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_RbYbZnSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.107
_cell_length_b   8.107
_cell_length_c   11.118
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   150.581
_symmetry_Int_Tables_number   1
_cell_volume   358.948
_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
  Rb  Rb0  1  0.256  0.744  0.250  1.0
  Rb  Rb1  1  0.744  0.256  0.750  1.0
  Yb  Yb2  1  0.000  0.000  0.000  1.0
  Yb  Yb3  1  0.000  0.000  0.500  1.0
  Zn  Zn4  1  0.538  0.462  0.250  1.0
  Zn  Zn5  1  0.462  0.538  0.750  1.0
  Se  Se6  1  0.624  0.376  0.065  1.0
  Se  Se7  1  0.376  0.624  0.935  1.0
  Se  Se8  1  0.376  0.624  0.565  1.0
  Se  Se9  1  0.624  0.376  0.435  1.0
  Se  Se10  1  0.942  0.058  0.250  1.0
  Se  Se11  1  0.058  0.942  0.750  1.0
[/CIF]
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The material structure described by RbYbZnSe3 crystallizes in the orthorhombic Cmcm space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent Se(2) and six equivalent Se(1) atoms. Yb(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form YbSe6 octahedra that share corners with two equivalent Yb(1)Se6 octahedra, edges with two equivalent Yb(1)Se6 octahedra, and edges with four equivalent Zn(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. 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 Yb(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 Rb(1), two equivalent Yb(1), and one Zn(1) atom. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Yb(1), and two equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_RbYbZnSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.107
_cell_length_b   8.107
_cell_length_c   11.118
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   150.581
_symmetry_Int_Tables_number   1
_cell_volume   358.948
_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
  Rb  Rb0  1  0.256  0.744  0.250  1.0
  Rb  Rb1  1  0.744  0.256  0.750  1.0
  Yb  Yb2  1  0.000  0.000  0.000  1.0
  Yb  Yb3  1  0.000  0.000  0.500  1.0
  Zn  Zn4  1  0.538  0.462  0.250  1.0
  Zn  Zn5  1  0.462  0.538  0.750  1.0
  Se  Se6  1  0.624  0.376  0.065  1.0
  Se  Se7  1  0.376  0.624  0.935  1.0
  Se  Se8  1  0.376  0.624  0.565  1.0
  Se  Se9  1  0.624  0.376  0.435  1.0
  Se  Se10  1  0.942  0.058  0.250  1.0
  Se  Se11  1  0.058  0.942  0.750  1.0
[/CIF]
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