The material described by RbHfCdF7 crystallizes in the orthorhombic Cmcm space group. Rb(1) is bonded in a 10-coordinate geometry to two equivalent F(3), four equivalent F(1), and four equivalent F(4) atoms. Hf(1) is bonded to one F(2), two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form HfF7 pentagonal bipyramids that share corners with three equivalent Cd(1)F7 pentagonal bipyramids and edges with two equivalent Cd(1)F7 pentagonal bipyramids. Cd(1) is bonded to one F(2), two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form CdF7 pentagonal bipyramids that share corners with three equivalent Hf(1)F7 pentagonal bipyramids and edges with two equivalent Hf(1)F7 pentagonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Hf(1), and one Cd(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Hf(1) and one Cd(1) atom. In the third F site, F(3) is bonded in a distorted linear geometry to one Rb(1), one Hf(1), and one Cd(1) atom. In the fourth F site, F(4) is bonded to two equivalent Rb(1), one Hf(1), and one Cd(1) atom to form a mixture of distorted corner and face-sharing FRb2HfCd tetrahedra. is represented by the CIF card [CIF]
data_RbHfCdF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.618
_cell_length_b   6.618
_cell_length_c   8.616
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.312
_symmetry_Int_Tables_number   1
_cell_volume   335.359
_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  0.000  0.000  0.000  1.0
  Rb  Rb1  1  0.000  0.000  0.500  1.0
  Hf  Hf2  1  0.692  0.308  0.750  1.0
  Hf  Hf3  1  0.308  0.692  0.250  1.0
  Cd  Cd4  1  0.309  0.691  0.750  1.0
  Cd  Cd5  1  0.691  0.309  0.250  1.0
  F  F6  1  0.350  0.065  0.750  1.0
  F  F7  1  0.650  0.935  0.250  1.0
  F  F8  1  0.935  0.650  0.750  1.0
  F  F9  1  0.065  0.350  0.250  1.0
  F  F10  1  0.512  0.488  0.750  1.0
  F  F11  1  0.488  0.512  0.250  1.0
  F  F12  1  0.703  0.297  0.983  1.0
  F  F13  1  0.297  0.703  0.017  1.0
  F  F14  1  0.297  0.703  0.483  1.0
  F  F15  1  0.703  0.297  0.517  1.0
  F  F16  1  0.670  0.978  0.750  1.0
  F  F17  1  0.330  0.022  0.250  1.0
  F  F18  1  0.022  0.330  0.750  1.0
  F  F19  1  0.978  0.670  0.250  1.0
[/CIF]
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The material described by RbHfCdF7 crystallizes in the orthorhombic Cmcm space group. Rb(1) is bonded in a 10-coordinate geometry to two equivalent F(3), four equivalent F(1), and four equivalent F(4) atoms. Hf(1) is bonded to one F(2), two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form HfF7 pentagonal bipyramids that share corners with three equivalent Cd(1)F7 pentagonal bipyramids and edges with two equivalent Cd(1)F7 pentagonal bipyramids. Cd(1) is bonded to one F(2), two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form CdF7 pentagonal bipyramids that share corners with three equivalent Hf(1)F7 pentagonal bipyramids and edges with two equivalent Hf(1)F7 pentagonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Hf(1), and one Cd(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Hf(1) and one Cd(1) atom. In the third F site, F(3) is bonded in a distorted linear geometry to one Rb(1), one Hf(1), and one Cd(1) atom. In the fourth F site, F(4) is bonded to two equivalent Rb(1), one Hf(1), and one Cd(1) atom to form a mixture of distorted corner and face-sharing FRb2HfCd tetrahedra. is represented by the CIF card [CIF]
data_RbHfCdF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.618
_cell_length_b   6.618
_cell_length_c   8.616
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.312
_symmetry_Int_Tables_number   1
_cell_volume   335.359
_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  0.000  0.000  0.000  1.0
  Rb  Rb1  1  0.000  0.000  0.500  1.0
  Hf  Hf2  1  0.692  0.308  0.750  1.0
  Hf  Hf3  1  0.308  0.692  0.250  1.0
  Cd  Cd4  1  0.309  0.691  0.750  1.0
  Cd  Cd5  1  0.691  0.309  0.250  1.0
  F  F6  1  0.350  0.065  0.750  1.0
  F  F7  1  0.650  0.935  0.250  1.0
  F  F8  1  0.935  0.650  0.750  1.0
  F  F9  1  0.065  0.350  0.250  1.0
  F  F10  1  0.512  0.488  0.750  1.0
  F  F11  1  0.488  0.512  0.250  1.0
  F  F12  1  0.703  0.297  0.983  1.0
  F  F13  1  0.297  0.703  0.017  1.0
  F  F14  1  0.297  0.703  0.483  1.0
  F  F15  1  0.703  0.297  0.517  1.0
  F  F16  1  0.670  0.978  0.750  1.0
  F  F17  1  0.330  0.022  0.250  1.0
  F  F18  1  0.022  0.330  0.750  1.0
  F  F19  1  0.978  0.670  0.250  1.0
[/CIF]
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