The material described by Rb3SiF7 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to two equivalent F(2), two equivalent F(3), and six equivalent F(1) atoms. In the second Rb site, Rb(2) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form RbF6 octahedra that share corners with four equivalent Si(1)F6 octahedra and corners with six equivalent Rb(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. Si(1) is bonded to two equivalent F(3) and four equivalent F(1) atoms to form SiF6 octahedra that share corners with four equivalent Rb(2)F6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one Si(1) atom. In the second F site, F(2) is bonded to two equivalent Rb(2) and four equivalent Rb(1) atoms to form corner-sharing FRb6 octahedra. The corner-sharing octahedral tilt angles range from 0-25°. In the third F site, F(3) is bonded in a single-bond geometry to two equivalent Rb(1), two equivalent Rb(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3SiF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.893
_cell_length_b   7.893
_cell_length_c   5.789
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   360.677
_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  0.193  0.693  0.500  1.0
  Rb  Rb1  1  0.693  0.807  0.500  1.0
  Rb  Rb2  1  0.307  0.193  0.500  1.0
  Rb  Rb3  1  0.807  0.307  0.500  1.0
  Rb  Rb4  1  0.500  0.500  0.000  1.0
  Rb  Rb5  1  0.000  0.000  0.000  1.0
  Si  Si6  1  0.000  0.500  0.000  1.0
  Si  Si7  1  0.500  0.000  0.000  1.0
  F  F8  1  0.393  0.893  0.791  1.0
  F  F9  1  0.607  0.107  0.791  1.0
  F  F10  1  0.107  0.393  0.791  1.0
  F  F11  1  0.893  0.607  0.791  1.0
  F  F12  1  0.393  0.893  0.209  1.0
  F  F13  1  0.893  0.607  0.209  1.0
  F  F14  1  0.107  0.393  0.209  1.0
  F  F15  1  0.607  0.107  0.209  1.0
  F  F16  1  0.000  0.000  0.500  1.0
  F  F17  1  0.500  0.500  0.500  1.0
  F  F18  1  0.848  0.348  0.000  1.0
  F  F19  1  0.348  0.152  0.000  1.0
  F  F20  1  0.652  0.848  0.000  1.0
  F  F21  1  0.152  0.652  0.000  1.0
[/CIF]
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The material described by Rb3SiF7 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to two equivalent F(2), two equivalent F(3), and six equivalent F(1) atoms. In the second Rb site, Rb(2) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form RbF6 octahedra that share corners with four equivalent Si(1)F6 octahedra and corners with six equivalent Rb(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. Si(1) is bonded to two equivalent F(3) and four equivalent F(1) atoms to form SiF6 octahedra that share corners with four equivalent Rb(2)F6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one Si(1) atom. In the second F site, F(2) is bonded to two equivalent Rb(2) and four equivalent Rb(1) atoms to form corner-sharing FRb6 octahedra. The corner-sharing octahedral tilt angles range from 0-25°. In the third F site, F(3) is bonded in a single-bond geometry to two equivalent Rb(1), two equivalent Rb(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3SiF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.893
_cell_length_b   7.893
_cell_length_c   5.789
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   360.677
_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  0.193  0.693  0.500  1.0
  Rb  Rb1  1  0.693  0.807  0.500  1.0
  Rb  Rb2  1  0.307  0.193  0.500  1.0
  Rb  Rb3  1  0.807  0.307  0.500  1.0
  Rb  Rb4  1  0.500  0.500  0.000  1.0
  Rb  Rb5  1  0.000  0.000  0.000  1.0
  Si  Si6  1  0.000  0.500  0.000  1.0
  Si  Si7  1  0.500  0.000  0.000  1.0
  F  F8  1  0.393  0.893  0.791  1.0
  F  F9  1  0.607  0.107  0.791  1.0
  F  F10  1  0.107  0.393  0.791  1.0
  F  F11  1  0.893  0.607  0.791  1.0
  F  F12  1  0.393  0.893  0.209  1.0
  F  F13  1  0.893  0.607  0.209  1.0
  F  F14  1  0.107  0.393  0.209  1.0
  F  F15  1  0.607  0.107  0.209  1.0
  F  F16  1  0.000  0.000  0.500  1.0
  F  F17  1  0.500  0.500  0.500  1.0
  F  F18  1  0.848  0.348  0.000  1.0
  F  F19  1  0.348  0.152  0.000  1.0
  F  F20  1  0.652  0.848  0.000  1.0
  F  F21  1  0.152  0.652  0.000  1.0
[/CIF]
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