The material described by RbBeYbF6 crystallizes in the monoclinic P2_1/m space group. Rb(1) is bonded to one F(2), three equivalent F(4), four equivalent F(1), and four equivalent F(3) atoms to form distorted RbF12 cuboctahedra that share corners with two equivalent Rb(1)F12 cuboctahedra, corners with two equivalent Be(1)F4 tetrahedra, edges with two equivalent Rb(1)F12 cuboctahedra, edges with three equivalent Be(1)F4 tetrahedra, and faces with two equivalent Rb(1)F12 cuboctahedra. Be(1) is bonded to one F(2), one F(4), and two equivalent F(1) atoms to form BeF4 tetrahedra that share corners with two equivalent Rb(1)F12 cuboctahedra and edges with three equivalent Rb(1)F12 cuboctahedra. Yb(1) is bonded in a 8-coordinate geometry to one F(2), one F(4), two equivalent F(1), and four equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Be(1), and one Yb(1) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Rb(1), one Be(1), and one Yb(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and two equivalent Yb(1) atoms. In the fourth F site, F(4) is bonded in a 1-coordinate geometry to three equivalent Rb(1), one Be(1), and one Yb(1) atom. is represented by the CIF file [CIF]
data_RbYbBeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.095
_cell_length_b   6.480
_cell_length_c   7.306
_cell_angle_alpha   67.418
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   266.426
_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  0.250  0.082  0.771  1.0
  Rb  Rb1  1  0.750  0.918  0.229  1.0
  Yb  Yb2  1  0.250  0.357  0.223  1.0
  Yb  Yb3  1  0.750  0.643  0.777  1.0
  Be  Be4  1  0.250  0.768  0.461  1.0
  Be  Be5  1  0.750  0.232  0.539  1.0
  F  F6  1  0.458  0.772  0.584  1.0
  F  F7  1  0.542  0.228  0.416  1.0
  F  F8  1  0.958  0.228  0.416  1.0
  F  F9  1  0.042  0.772  0.584  1.0
  F  F10  1  0.250  0.561  0.405  1.0
  F  F11  1  0.750  0.439  0.595  1.0
  F  F12  1  0.497  0.638  0.027  1.0
  F  F13  1  0.503  0.362  0.973  1.0
  F  F14  1  0.997  0.362  0.973  1.0
  F  F15  1  0.003  0.638  0.027  1.0
  F  F16  1  0.250  0.986  0.259  1.0
  F  F17  1  0.750  0.014  0.741  1.0
[/CIF]
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The material described by RbBeYbF6 crystallizes in the monoclinic P2_1/m space group. Rb(1) is bonded to one F(2), three equivalent F(4), four equivalent F(1), and four equivalent F(3) atoms to form distorted RbF12 cuboctahedra that share corners with two equivalent Rb(1)F12 cuboctahedra, corners with two equivalent Be(1)F4 tetrahedra, edges with two equivalent Rb(1)F12 cuboctahedra, edges with three equivalent Be(1)F4 tetrahedra, and faces with two equivalent Rb(1)F12 cuboctahedra. Be(1) is bonded to one F(2), one F(4), and two equivalent F(1) atoms to form BeF4 tetrahedra that share corners with two equivalent Rb(1)F12 cuboctahedra and edges with three equivalent Rb(1)F12 cuboctahedra. Yb(1) is bonded in a 8-coordinate geometry to one F(2), one F(4), two equivalent F(1), and four equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Be(1), and one Yb(1) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Rb(1), one Be(1), and one Yb(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and two equivalent Yb(1) atoms. In the fourth F site, F(4) is bonded in a 1-coordinate geometry to three equivalent Rb(1), one Be(1), and one Yb(1) atom. is represented by the CIF file [CIF]
data_RbYbBeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.095
_cell_length_b   6.480
_cell_length_c   7.306
_cell_angle_alpha   67.418
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   266.426
_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  0.250  0.082  0.771  1.0
  Rb  Rb1  1  0.750  0.918  0.229  1.0
  Yb  Yb2  1  0.250  0.357  0.223  1.0
  Yb  Yb3  1  0.750  0.643  0.777  1.0
  Be  Be4  1  0.250  0.768  0.461  1.0
  Be  Be5  1  0.750  0.232  0.539  1.0
  F  F6  1  0.458  0.772  0.584  1.0
  F  F7  1  0.542  0.228  0.416  1.0
  F  F8  1  0.958  0.228  0.416  1.0
  F  F9  1  0.042  0.772  0.584  1.0
  F  F10  1  0.250  0.561  0.405  1.0
  F  F11  1  0.750  0.439  0.595  1.0
  F  F12  1  0.497  0.638  0.027  1.0
  F  F13  1  0.503  0.362  0.973  1.0
  F  F14  1  0.997  0.362  0.973  1.0
  F  F15  1  0.003  0.638  0.027  1.0
  F  F16  1  0.250  0.986  0.259  1.0
  F  F17  1  0.750  0.014  0.741  1.0
[/CIF]
.