The structure described by RbCaZrF7 crystallizes in the orthorhombic Cmcm space group. Rb(1) is bonded in a 8-coordinate geometry to four equivalent F(3) and four equivalent F(4) atoms. Ca(1) is bonded to one F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form CaF7 pentagonal bipyramids that share corners with three equivalent Zr(1)F7 pentagonal bipyramids and edges with two equivalent Zr(1)F7 pentagonal bipyramids. Zr(1) is bonded to one F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form ZrF7 pentagonal bipyramids that share corners with three equivalent Ca(1)F7 pentagonal bipyramids and edges with two equivalent Ca(1)F7 pentagonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Ca(1) and one Zr(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Ca(1) and one Zr(1) atom. In the third F site, F(3) is bonded to two equivalent Rb(1), one Ca(1), and one Zr(1) atom to form a mixture of distorted face and corner-sharing FRb2CaZr tetrahedra. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Rb(1), one Ca(1), and one Zr(1) atom. is represented by the CIF card [CIF]
data_RbCaZrF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.672
_cell_length_b   6.672
_cell_length_c   8.662
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   116.806
_symmetry_Int_Tables_number   1
_cell_volume   344.205
_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
  Ca  Ca2  1  0.309  0.691  0.750  1.0
  Ca  Ca3  1  0.691  0.309  0.250  1.0
  Zr  Zr4  1  0.693  0.307  0.750  1.0
  Zr  Zr5  1  0.307  0.693  0.250  1.0
  F  F6  1  0.510  0.490  0.750  1.0
  F  F7  1  0.490  0.510  0.250  1.0
  F  F8  1  0.700  0.300  0.987  1.0
  F  F9  1  0.300  0.700  0.013  1.0
  F  F10  1  0.300  0.700  0.487  1.0
  F  F11  1  0.700  0.300  0.513  1.0
  F  F12  1  0.672  0.978  0.750  1.0
  F  F13  1  0.328  0.022  0.250  1.0
  F  F14  1  0.022  0.328  0.750  1.0
  F  F15  1  0.978  0.672  0.250  1.0
  F  F16  1  0.349  0.064  0.750  1.0
  F  F17  1  0.651  0.936  0.250  1.0
  F  F18  1  0.936  0.651  0.750  1.0
  F  F19  1  0.064  0.349  0.250  1.0
[/CIF]
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The structure described by RbCaZrF7 crystallizes in the orthorhombic Cmcm space group. Rb(1) is bonded in a 8-coordinate geometry to four equivalent F(3) and four equivalent F(4) atoms. Ca(1) is bonded to one F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form CaF7 pentagonal bipyramids that share corners with three equivalent Zr(1)F7 pentagonal bipyramids and edges with two equivalent Zr(1)F7 pentagonal bipyramids. Zr(1) is bonded to one F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form ZrF7 pentagonal bipyramids that share corners with three equivalent Ca(1)F7 pentagonal bipyramids and edges with two equivalent Ca(1)F7 pentagonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Ca(1) and one Zr(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Ca(1) and one Zr(1) atom. In the third F site, F(3) is bonded to two equivalent Rb(1), one Ca(1), and one Zr(1) atom to form a mixture of distorted face and corner-sharing FRb2CaZr tetrahedra. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Rb(1), one Ca(1), and one Zr(1) atom. is represented by the CIF card [CIF]
data_RbCaZrF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.672
_cell_length_b   6.672
_cell_length_c   8.662
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   116.806
_symmetry_Int_Tables_number   1
_cell_volume   344.205
_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
  Ca  Ca2  1  0.309  0.691  0.750  1.0
  Ca  Ca3  1  0.691  0.309  0.250  1.0
  Zr  Zr4  1  0.693  0.307  0.750  1.0
  Zr  Zr5  1  0.307  0.693  0.250  1.0
  F  F6  1  0.510  0.490  0.750  1.0
  F  F7  1  0.490  0.510  0.250  1.0
  F  F8  1  0.700  0.300  0.987  1.0
  F  F9  1  0.300  0.700  0.013  1.0
  F  F10  1  0.300  0.700  0.487  1.0
  F  F11  1  0.700  0.300  0.513  1.0
  F  F12  1  0.672  0.978  0.750  1.0
  F  F13  1  0.328  0.022  0.250  1.0
  F  F14  1  0.022  0.328  0.750  1.0
  F  F15  1  0.978  0.672  0.250  1.0
  F  F16  1  0.349  0.064  0.750  1.0
  F  F17  1  0.651  0.936  0.250  1.0
  F  F18  1  0.936  0.651  0.750  1.0
  F  F19  1  0.064  0.349  0.250  1.0
[/CIF]
.