The crystal structure described by Cs2RbSiF7 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(5) atoms to form distorted CsF6 octahedra that share corners with two equivalent Si(1)F6 octahedra, corners with two equivalent Si(2)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to two equivalent F(1); two equivalent F(3); two F(5,5); and four equivalent F(4) atoms. Rb(1) is bonded in a 10-coordinate geometry to two equivalent F(2), two equivalent F(4), two equivalent F(5), and four equivalent F(3) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form SiF6 octahedra that share corners with four equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles are 68°. In the second Si site, Si(2) is bonded to two equivalent F(1) and four equivalent F(4) atoms to form SiF6 octahedra that share corners with four equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles are 67°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Si(2) atom. In the second F site, F(2) is bonded in a single-bond geometry to two equivalent Cs(1), two equivalent Rb(1), and one Si(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Rb(1), and one Si(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Cs(2), one Rb(1), and one Si(2) atom. In the fifth F site, F(5) is bonded to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Rb(1) atoms to form corner-sharing FCs4Rb2 octahedra. The corner-sharing octahedral tilt angles range from 0-25°. In the sixth F site, F(5) is bonded to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Rb(1) atoms to form corner-sharing FCs4Rb2 octahedra. The corner-sharing octahedral tilt angles range from 0-25°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2RbSiF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.332
_cell_length_b   8.332
_cell_length_c   6.136
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.586
_symmetry_Int_Tables_number   1
_cell_volume   425.887
_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  0.500  0.000  0.000  1.0
  Cs  Cs1  1  0.000  0.500  0.000  1.0
  Cs  Cs2  1  0.195  0.805  0.500  1.0
  Cs  Cs3  1  0.805  0.195  0.500  1.0
  Rb  Rb4  1  0.695  0.695  0.500  1.0
  Rb  Rb5  1  0.305  0.305  0.500  1.0
  Si  Si6  1  0.500  0.500  0.000  1.0
  Si  Si7  1  0.000  0.000  0.000  1.0
  F  F8  1  0.145  0.855  0.000  1.0
  F  F9  1  0.855  0.145  0.000  1.0
  F  F10  1  0.647  0.647  0.000  1.0
  F  F11  1  0.353  0.353  0.000  1.0
  F  F12  1  0.398  0.602  0.799  1.0
  F  F13  1  0.602  0.398  0.799  1.0
  F  F14  1  0.896  0.896  0.800  1.0
  F  F15  1  0.104  0.104  0.800  1.0
  F  F16  1  0.602  0.398  0.201  1.0
  F  F17  1  0.398  0.602  0.201  1.0
  F  F18  1  0.104  0.104  0.200  1.0
  F  F19  1  0.896  0.896  0.200  1.0
  F  F20  1  0.500  0.000  0.500  1.0
  F  F21  1  0.000  0.500  0.500  1.0
[/CIF]
.
The crystal structure described by Cs2RbSiF7 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(5) atoms to form distorted CsF6 octahedra that share corners with two equivalent Si(1)F6 octahedra, corners with two equivalent Si(2)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to two equivalent F(1); two equivalent F(3); two F(5,5); and four equivalent F(4) atoms. Rb(1) is bonded in a 10-coordinate geometry to two equivalent F(2), two equivalent F(4), two equivalent F(5), and four equivalent F(3) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form SiF6 octahedra that share corners with four equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles are 68°. In the second Si site, Si(2) is bonded to two equivalent F(1) and four equivalent F(4) atoms to form SiF6 octahedra that share corners with four equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles are 67°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Si(2) atom. In the second F site, F(2) is bonded in a single-bond geometry to two equivalent Cs(1), two equivalent Rb(1), and one Si(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Rb(1), and one Si(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Cs(2), one Rb(1), and one Si(2) atom. In the fifth F site, F(5) is bonded to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Rb(1) atoms to form corner-sharing FCs4Rb2 octahedra. The corner-sharing octahedral tilt angles range from 0-25°. In the sixth F site, F(5) is bonded to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Rb(1) atoms to form corner-sharing FCs4Rb2 octahedra. The corner-sharing octahedral tilt angles range from 0-25°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2RbSiF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.332
_cell_length_b   8.332
_cell_length_c   6.136
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.586
_symmetry_Int_Tables_number   1
_cell_volume   425.887
_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  0.500  0.000  0.000  1.0
  Cs  Cs1  1  0.000  0.500  0.000  1.0
  Cs  Cs2  1  0.195  0.805  0.500  1.0
  Cs  Cs3  1  0.805  0.195  0.500  1.0
  Rb  Rb4  1  0.695  0.695  0.500  1.0
  Rb  Rb5  1  0.305  0.305  0.500  1.0
  Si  Si6  1  0.500  0.500  0.000  1.0
  Si  Si7  1  0.000  0.000  0.000  1.0
  F  F8  1  0.145  0.855  0.000  1.0
  F  F9  1  0.855  0.145  0.000  1.0
  F  F10  1  0.647  0.647  0.000  1.0
  F  F11  1  0.353  0.353  0.000  1.0
  F  F12  1  0.398  0.602  0.799  1.0
  F  F13  1  0.602  0.398  0.799  1.0
  F  F14  1  0.896  0.896  0.800  1.0
  F  F15  1  0.104  0.104  0.800  1.0
  F  F16  1  0.602  0.398  0.201  1.0
  F  F17  1  0.398  0.602  0.201  1.0
  F  F18  1  0.104  0.104  0.200  1.0
  F  F19  1  0.896  0.896  0.200  1.0
  F  F20  1  0.500  0.000  0.500  1.0
  F  F21  1  0.000  0.500  0.500  1.0
[/CIF]
.