The structure described by K3Rb3Zn4Sn3Se13 crystallizes in the trigonal R3m space group. Rb(1) is bonded in a 6-coordinate geometry to two equivalent Se(4) and four equivalent Se(3) atoms. K(1) is bonded in a 4-coordinate geometry to two equivalent Se(1) and two equivalent Se(3) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with three equivalent Zn(2)Se4 tetrahedra and corners with three equivalent Sn(1)Se4 tetrahedra. In the second Zn site, Zn(2) is bonded to one Se(2), one Se(4), and two equivalent Se(3) atoms to form ZnSe4 tetrahedra that share  a cornercorner with one Zn(1)Se4 tetrahedra, corners with two equivalent Zn(2)Se4 tetrahedra, and corners with three equivalent Sn(1)Se4 tetrahedra. Sn(1) is bonded to one Se(1), one Se(4), and two equivalent Se(3) atoms to form SnSe4 tetrahedra that share  a cornercorner with one Zn(1)Se4 tetrahedra and corners with three equivalent Zn(2)Se4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted square co-planar geometry to two equivalent K(1), one Zn(1), and one Sn(1) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to one Zn(1) and three equivalent Zn(2) atoms. In the third Se site, Se(3) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one K(1), one Zn(2), and one Sn(1) atom. In the fourth Se site, Se(4) is bonded in a distorted see-saw-like geometry to two equivalent Rb(1), one Zn(2), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Rb3Zn4Sn3Se13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.015
_cell_length_b   10.015
_cell_length_c   10.015
_cell_angle_alpha   95.395
_cell_angle_beta   95.395
_cell_angle_gamma   95.395
_symmetry_Int_Tables_number   1
_cell_volume   990.162
_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
  K  K0  1  0.078  0.516  0.516  1.0
  K  K1  1  0.516  0.516  0.078  1.0
  K  K2  1  0.516  0.078  0.516  1.0
  Rb  Rb3  1  0.304  0.852  0.852  1.0
  Rb  Rb4  1  0.852  0.852  0.304  1.0
  Rb  Rb5  1  0.852  0.304  0.852  1.0
  Zn  Zn6  1  0.338  0.338  0.338  1.0
  Zn  Zn7  1  0.231  0.944  0.231  1.0
  Zn  Zn8  1  0.944  0.231  0.231  1.0
  Zn  Zn9  1  0.231  0.231  0.944  1.0
  Sn  Sn10  1  0.122  0.574  0.122  1.0
  Sn  Sn11  1  0.574  0.122  0.122  1.0
  Sn  Sn12  1  0.122  0.122  0.574  1.0
  Se  Se13  1  0.313  0.582  0.313  1.0
  Se  Se14  1  0.582  0.313  0.313  1.0
  Se  Se15  1  0.313  0.313  0.582  1.0
  Se  Se16  1  0.181  0.181  0.181  1.0
  Se  Se17  1  0.195  0.470  0.898  1.0
  Se  Se18  1  0.470  0.898  0.195  1.0
  Se  Se19  1  0.898  0.195  0.470  1.0
  Se  Se20  1  0.470  0.195  0.898  1.0
  Se  Se21  1  0.195  0.898  0.470  1.0
  Se  Se22  1  0.898  0.470  0.195  1.0
  Se  Se23  1  0.064  0.806  0.064  1.0
  Se  Se24  1  0.806  0.064  0.064  1.0
  Se  Se25  1  0.064  0.064  0.806  1.0
[/CIF]
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The structure described by K3Rb3Zn4Sn3Se13 crystallizes in the trigonal R3m space group. Rb(1) is bonded in a 6-coordinate geometry to two equivalent Se(4) and four equivalent Se(3) atoms. K(1) is bonded in a 4-coordinate geometry to two equivalent Se(1) and two equivalent Se(3) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with three equivalent Zn(2)Se4 tetrahedra and corners with three equivalent Sn(1)Se4 tetrahedra. In the second Zn site, Zn(2) is bonded to one Se(2), one Se(4), and two equivalent Se(3) atoms to form ZnSe4 tetrahedra that share  a cornercorner with one Zn(1)Se4 tetrahedra, corners with two equivalent Zn(2)Se4 tetrahedra, and corners with three equivalent Sn(1)Se4 tetrahedra. Sn(1) is bonded to one Se(1), one Se(4), and two equivalent Se(3) atoms to form SnSe4 tetrahedra that share  a cornercorner with one Zn(1)Se4 tetrahedra and corners with three equivalent Zn(2)Se4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted square co-planar geometry to two equivalent K(1), one Zn(1), and one Sn(1) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to one Zn(1) and three equivalent Zn(2) atoms. In the third Se site, Se(3) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one K(1), one Zn(2), and one Sn(1) atom. In the fourth Se site, Se(4) is bonded in a distorted see-saw-like geometry to two equivalent Rb(1), one Zn(2), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Rb3Zn4Sn3Se13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.015
_cell_length_b   10.015
_cell_length_c   10.015
_cell_angle_alpha   95.395
_cell_angle_beta   95.395
_cell_angle_gamma   95.395
_symmetry_Int_Tables_number   1
_cell_volume   990.162
_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
  K  K0  1  0.078  0.516  0.516  1.0
  K  K1  1  0.516  0.516  0.078  1.0
  K  K2  1  0.516  0.078  0.516  1.0
  Rb  Rb3  1  0.304  0.852  0.852  1.0
  Rb  Rb4  1  0.852  0.852  0.304  1.0
  Rb  Rb5  1  0.852  0.304  0.852  1.0
  Zn  Zn6  1  0.338  0.338  0.338  1.0
  Zn  Zn7  1  0.231  0.944  0.231  1.0
  Zn  Zn8  1  0.944  0.231  0.231  1.0
  Zn  Zn9  1  0.231  0.231  0.944  1.0
  Sn  Sn10  1  0.122  0.574  0.122  1.0
  Sn  Sn11  1  0.574  0.122  0.122  1.0
  Sn  Sn12  1  0.122  0.122  0.574  1.0
  Se  Se13  1  0.313  0.582  0.313  1.0
  Se  Se14  1  0.582  0.313  0.313  1.0
  Se  Se15  1  0.313  0.313  0.582  1.0
  Se  Se16  1  0.181  0.181  0.181  1.0
  Se  Se17  1  0.195  0.470  0.898  1.0
  Se  Se18  1  0.470  0.898  0.195  1.0
  Se  Se19  1  0.898  0.195  0.470  1.0
  Se  Se20  1  0.470  0.195  0.898  1.0
  Se  Se21  1  0.195  0.898  0.470  1.0
  Se  Se22  1  0.898  0.470  0.195  1.0
  Se  Se23  1  0.064  0.806  0.064  1.0
  Se  Se24  1  0.806  0.064  0.064  1.0
  Se  Se25  1  0.064  0.064  0.806  1.0
[/CIF]
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