The compound described by RbSbSe2 crystallizes in the triclinic P-1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one Se(1), one Se(3), two equivalent Se(4), and three equivalent Se(2) atoms. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one Se(4), three equivalent Se(1), and three equivalent Se(3) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), and two equivalent Se(3) atoms. In the second Sb site, Sb(2) is bonded in a distorted rectangular see-saw-like geometry to one Se(1), one Se(2), and two equivalent Se(4) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to one Rb(1), three equivalent Rb(2), one Sb(1), and one Sb(2) atom. In the second Se site, Se(2) is bonded to three equivalent Rb(1), one Sb(1), and one Sb(2) atom to form distorted SeRb3Sb2 trigonal bipyramids that share corners with three equivalent Se(3)Rb4Sb2 octahedra, corners with two equivalent Se(2)Rb3Sb2 trigonal bipyramids, corners with four equivalent Se(4)Rb3Sb2 trigonal bipyramids,  an edgeedge with one Se(3)Rb4Sb2 octahedra, edges with two equivalent Se(2)Rb3Sb2 trigonal bipyramids, and edges with two equivalent Se(4)Rb3Sb2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-66°. In the third Se site, Se(3) is bonded to one Rb(1), three equivalent Rb(2), and two equivalent Sb(1) atoms to form distorted SeRb4Sb2 octahedra that share corners with two equivalent Se(3)Rb4Sb2 octahedra,  a cornercorner with one Se(4)Rb3Sb2 trigonal bipyramid, corners with three equivalent Se(2)Rb3Sb2 trigonal bipyramids, edges with three equivalent Se(3)Rb4Sb2 octahedra,  an edgeedge with one Se(2)Rb3Sb2 trigonal bipyramid, and edges with two equivalent Se(4)Rb3Sb2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 18°. In the fourth Se site, Se(4) is bonded to one Rb(2), two equivalent Rb(1), and two equivalent Sb(2) atoms to form distorted SeRb3Sb2 trigonal bipyramids that share  a cornercorner with one Se(3)Rb4Sb2 octahedra, corners with two equivalent Se(4)Rb3Sb2 trigonal bipyramids, corners with four equivalent Se(2)Rb3Sb2 trigonal bipyramids, edges with two equivalent Se(3)Rb4Sb2 octahedra,  an edgeedge with one Se(4)Rb3Sb2 trigonal bipyramid, and edges with two equivalent Se(2)Rb3Sb2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 58°. is represented by the CIF card [CIF]
data_RbSbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.802
_cell_length_b   6.754
_cell_length_c   12.740
_cell_angle_alpha   99.168
_cell_angle_beta   101.126
_cell_angle_gamma   104.490
_symmetry_Int_Tables_number   1
_cell_volume   542.576
_cell_formula_units_Z   4
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  0.565  0.328  0.153  1.0
  Rb  Rb1  1  0.894  0.716  0.580  1.0
  Rb  Rb2  1  0.435  0.672  0.847  1.0
  Rb  Rb3  1  0.106  0.284  0.420  1.0
  Sb  Sb4  1  0.410  0.806  0.348  1.0
  Sb  Sb5  1  0.012  0.216  0.915  1.0
  Sb  Sb6  1  0.988  0.784  0.085  1.0
  Sb  Sb7  1  0.590  0.194  0.652  1.0
  Se  Se8  1  0.014  0.757  0.318  1.0
  Se  Se9  1  0.986  0.243  0.682  1.0
  Se  Se10  1  0.623  0.210  0.876  1.0
  Se  Se11  1  0.576  0.202  0.408  1.0
  Se  Se12  1  0.377  0.790  0.124  1.0
  Se  Se13  1  0.424  0.798  0.592  1.0
  Se  Se14  1  0.021  0.176  0.134  1.0
  Se  Se15  1  0.979  0.824  0.866  1.0
[/CIF]
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The compound described by RbSbSe2 crystallizes in the triclinic P-1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one Se(1), one Se(3), two equivalent Se(4), and three equivalent Se(2) atoms. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one Se(4), three equivalent Se(1), and three equivalent Se(3) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), and two equivalent Se(3) atoms. In the second Sb site, Sb(2) is bonded in a distorted rectangular see-saw-like geometry to one Se(1), one Se(2), and two equivalent Se(4) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to one Rb(1), three equivalent Rb(2), one Sb(1), and one Sb(2) atom. In the second Se site, Se(2) is bonded to three equivalent Rb(1), one Sb(1), and one Sb(2) atom to form distorted SeRb3Sb2 trigonal bipyramids that share corners with three equivalent Se(3)Rb4Sb2 octahedra, corners with two equivalent Se(2)Rb3Sb2 trigonal bipyramids, corners with four equivalent Se(4)Rb3Sb2 trigonal bipyramids,  an edgeedge with one Se(3)Rb4Sb2 octahedra, edges with two equivalent Se(2)Rb3Sb2 trigonal bipyramids, and edges with two equivalent Se(4)Rb3Sb2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-66°. In the third Se site, Se(3) is bonded to one Rb(1), three equivalent Rb(2), and two equivalent Sb(1) atoms to form distorted SeRb4Sb2 octahedra that share corners with two equivalent Se(3)Rb4Sb2 octahedra,  a cornercorner with one Se(4)Rb3Sb2 trigonal bipyramid, corners with three equivalent Se(2)Rb3Sb2 trigonal bipyramids, edges with three equivalent Se(3)Rb4Sb2 octahedra,  an edgeedge with one Se(2)Rb3Sb2 trigonal bipyramid, and edges with two equivalent Se(4)Rb3Sb2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 18°. In the fourth Se site, Se(4) is bonded to one Rb(2), two equivalent Rb(1), and two equivalent Sb(2) atoms to form distorted SeRb3Sb2 trigonal bipyramids that share  a cornercorner with one Se(3)Rb4Sb2 octahedra, corners with two equivalent Se(4)Rb3Sb2 trigonal bipyramids, corners with four equivalent Se(2)Rb3Sb2 trigonal bipyramids, edges with two equivalent Se(3)Rb4Sb2 octahedra,  an edgeedge with one Se(4)Rb3Sb2 trigonal bipyramid, and edges with two equivalent Se(2)Rb3Sb2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 58°. is represented by the CIF card [CIF]
data_RbSbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.802
_cell_length_b   6.754
_cell_length_c   12.740
_cell_angle_alpha   99.168
_cell_angle_beta   101.126
_cell_angle_gamma   104.490
_symmetry_Int_Tables_number   1
_cell_volume   542.576
_cell_formula_units_Z   4
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  0.565  0.328  0.153  1.0
  Rb  Rb1  1  0.894  0.716  0.580  1.0
  Rb  Rb2  1  0.435  0.672  0.847  1.0
  Rb  Rb3  1  0.106  0.284  0.420  1.0
  Sb  Sb4  1  0.410  0.806  0.348  1.0
  Sb  Sb5  1  0.012  0.216  0.915  1.0
  Sb  Sb6  1  0.988  0.784  0.085  1.0
  Sb  Sb7  1  0.590  0.194  0.652  1.0
  Se  Se8  1  0.014  0.757  0.318  1.0
  Se  Se9  1  0.986  0.243  0.682  1.0
  Se  Se10  1  0.623  0.210  0.876  1.0
  Se  Se11  1  0.576  0.202  0.408  1.0
  Se  Se12  1  0.377  0.790  0.124  1.0
  Se  Se13  1  0.424  0.798  0.592  1.0
  Se  Se14  1  0.021  0.176  0.134  1.0
  Se  Se15  1  0.979  0.824  0.866  1.0
[/CIF]
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