The crystal structure described by RbZnF3 is (Cubic) Perovskite-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to three equivalent F(2) and nine equivalent F(1) atoms to form RbF12 cuboctahedra that share corners with three equivalent Rb(2)F12 cuboctahedra, corners with six equivalent Rb(1)F12 cuboctahedra, corners with three equivalent Zn(1)F6 octahedra, faces with three equivalent Rb(2)F12 cuboctahedra, faces with four equivalent Rb(1)F12 cuboctahedra, faces with three equivalent Zn(2)F6 octahedra, and faces with four equivalent Zn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the second Rb site, Rb(2) is bonded to six equivalent F(1) and six equivalent F(2) atoms to form RbF12 cuboctahedra that share corners with six equivalent Rb(1)F12 cuboctahedra, corners with six equivalent Rb(2)F12 cuboctahedra, faces with six equivalent Rb(1)F12 cuboctahedra, faces with two equivalent Zn(2)F6 octahedra, and faces with six equivalent Zn(1)F6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent F(1) and three equivalent F(2) atoms to form ZnF6 octahedra that share corners with three equivalent Rb(1)F12 cuboctahedra, corners with three equivalent Zn(2)F6 octahedra, faces with three equivalent Rb(2)F12 cuboctahedra, faces with four equivalent Rb(1)F12 cuboctahedra, and  a faceface with one Zn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Zn site, Zn(2) is bonded to six equivalent F(1) atoms to form ZnF6 octahedra that share corners with six equivalent Zn(1)F6 octahedra, faces with two equivalent Rb(2)F12 cuboctahedra, and faces with six equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to one Rb(2), three equivalent Rb(1), one Zn(1), and one Zn(2) atom. In the second F site, F(2) is bonded to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Zn(1) atoms to form a mixture of distorted corner and face-sharing FRb4Zn2 octahedra. The corner-sharing octahedral tilt angles range from 6-60°. is represented by the CIF card [CIF]
data_RbZnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.888
_cell_length_b   5.888
_cell_length_c   14.414
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   432.765
_cell_formula_units_Z   6
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  0.333  0.667  0.404  1.0
  Rb  Rb1  1  0.667  0.333  0.904  1.0
  Rb  Rb2  1  0.667  0.333  0.596  1.0
  Rb  Rb3  1  0.333  0.667  0.096  1.0
  Rb  Rb4  1  1.000  1.000  0.750  1.0
  Rb  Rb5  1  0.000  1.000  0.250  1.0
  Zn  Zn6  1  0.333  0.667  0.653  1.0
  Zn  Zn7  1  0.667  0.333  0.154  1.0
  Zn  Zn8  1  0.667  0.333  0.347  1.0
  Zn  Zn9  1  0.333  0.667  0.846  1.0
  Zn  Zn10  1  0.000  1.000  0.500  1.0
  Zn  Zn11  1  1.000  0.000  0.000  1.0
  F  F12  1  0.835  0.165  0.420  1.0
  F  F13  1  0.835  0.669  0.420  1.0
  F  F14  1  0.331  0.165  0.420  1.0
  F  F15  1  0.669  0.834  0.920  1.0
  F  F16  1  0.165  0.331  0.580  1.0
  F  F17  1  0.165  0.835  0.920  1.0
  F  F18  1  0.166  0.331  0.920  1.0
  F  F19  1  0.835  0.165  0.080  1.0
  F  F20  1  0.331  0.166  0.080  1.0
  F  F21  1  0.669  0.835  0.580  1.0
  F  F22  1  0.165  0.835  0.580  1.0
  F  F23  1  0.834  0.669  0.080  1.0
  F  F24  1  0.516  0.032  0.250  1.0
  F  F25  1  0.484  0.516  0.750  1.0
  F  F26  1  0.032  0.516  0.750  1.0
  F  F27  1  0.968  0.484  0.250  1.0
  F  F28  1  0.516  0.484  0.250  1.0
  F  F29  1  0.484  0.968  0.750  1.0
[/CIF]
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The crystal structure described by RbZnF3 is (Cubic) Perovskite-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to three equivalent F(2) and nine equivalent F(1) atoms to form RbF12 cuboctahedra that share corners with three equivalent Rb(2)F12 cuboctahedra, corners with six equivalent Rb(1)F12 cuboctahedra, corners with three equivalent Zn(1)F6 octahedra, faces with three equivalent Rb(2)F12 cuboctahedra, faces with four equivalent Rb(1)F12 cuboctahedra, faces with three equivalent Zn(2)F6 octahedra, and faces with four equivalent Zn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the second Rb site, Rb(2) is bonded to six equivalent F(1) and six equivalent F(2) atoms to form RbF12 cuboctahedra that share corners with six equivalent Rb(1)F12 cuboctahedra, corners with six equivalent Rb(2)F12 cuboctahedra, faces with six equivalent Rb(1)F12 cuboctahedra, faces with two equivalent Zn(2)F6 octahedra, and faces with six equivalent Zn(1)F6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent F(1) and three equivalent F(2) atoms to form ZnF6 octahedra that share corners with three equivalent Rb(1)F12 cuboctahedra, corners with three equivalent Zn(2)F6 octahedra, faces with three equivalent Rb(2)F12 cuboctahedra, faces with four equivalent Rb(1)F12 cuboctahedra, and  a faceface with one Zn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Zn site, Zn(2) is bonded to six equivalent F(1) atoms to form ZnF6 octahedra that share corners with six equivalent Zn(1)F6 octahedra, faces with two equivalent Rb(2)F12 cuboctahedra, and faces with six equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to one Rb(2), three equivalent Rb(1), one Zn(1), and one Zn(2) atom. In the second F site, F(2) is bonded to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Zn(1) atoms to form a mixture of distorted corner and face-sharing FRb4Zn2 octahedra. The corner-sharing octahedral tilt angles range from 6-60°. is represented by the CIF card [CIF]
data_RbZnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.888
_cell_length_b   5.888
_cell_length_c   14.414
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   432.765
_cell_formula_units_Z   6
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  0.333  0.667  0.404  1.0
  Rb  Rb1  1  0.667  0.333  0.904  1.0
  Rb  Rb2  1  0.667  0.333  0.596  1.0
  Rb  Rb3  1  0.333  0.667  0.096  1.0
  Rb  Rb4  1  1.000  1.000  0.750  1.0
  Rb  Rb5  1  0.000  1.000  0.250  1.0
  Zn  Zn6  1  0.333  0.667  0.653  1.0
  Zn  Zn7  1  0.667  0.333  0.154  1.0
  Zn  Zn8  1  0.667  0.333  0.347  1.0
  Zn  Zn9  1  0.333  0.667  0.846  1.0
  Zn  Zn10  1  0.000  1.000  0.500  1.0
  Zn  Zn11  1  1.000  0.000  0.000  1.0
  F  F12  1  0.835  0.165  0.420  1.0
  F  F13  1  0.835  0.669  0.420  1.0
  F  F14  1  0.331  0.165  0.420  1.0
  F  F15  1  0.669  0.834  0.920  1.0
  F  F16  1  0.165  0.331  0.580  1.0
  F  F17  1  0.165  0.835  0.920  1.0
  F  F18  1  0.166  0.331  0.920  1.0
  F  F19  1  0.835  0.165  0.080  1.0
  F  F20  1  0.331  0.166  0.080  1.0
  F  F21  1  0.669  0.835  0.580  1.0
  F  F22  1  0.165  0.835  0.580  1.0
  F  F23  1  0.834  0.669  0.080  1.0
  F  F24  1  0.516  0.032  0.250  1.0
  F  F25  1  0.484  0.516  0.750  1.0
  F  F26  1  0.032  0.516  0.750  1.0
  F  F27  1  0.968  0.484  0.250  1.0
  F  F28  1  0.516  0.484  0.250  1.0
  F  F29  1  0.484  0.968  0.750  1.0
[/CIF]
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