The material structure described by MnCdF5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with four equivalent Cd(1)F7 pentagonal bipyramids, and edges with two equivalent Cd(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. In the second Mn site, Mn(2) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with four equivalent Cd(1)F7 pentagonal bipyramids, and edges with two equivalent Cd(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. Cd(1) is bonded to one F(2), one F(4), one F(5), two equivalent F(1), and two equivalent F(3) atoms to form CdF7 pentagonal bipyramids that share corners with two equivalent Mn(1)F6 octahedra, corners with two equivalent Mn(2)F6 octahedra,  an edgeedge with one Mn(1)F6 octahedra,  an edgeedge with one Mn(2)F6 octahedra, and edges with two equivalent Cd(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 1-38°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Cd(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Cd(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(2) and two equivalent Cd(1) atoms. In the fourth F site, F(4) is bonded in a linear geometry to one Mn(1) and one Cd(1) atom. In the fifth F site, F(5) is bonded in a linear geometry to one Mn(2) and one Cd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnCdF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.487
_cell_length_b   5.487
_cell_length_c   7.739
_cell_angle_alpha   97.452
_cell_angle_beta   110.223
_cell_angle_gamma   109.237
_symmetry_Int_Tables_number   1
_cell_volume   198.460
_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
  Cd  Cd0  1  0.794  0.544  0.250  1.0
  Cd  Cd1  1  0.206  0.456  0.750  1.0
  F  F2  1  0.654  0.717  0.967  1.0
  F  F3  1  0.750  0.313  0.467  1.0
  F  F4  1  0.851  0.101  0.750  1.0
  F  F5  1  0.149  0.899  0.250  1.0
  F  F6  1  0.250  0.687  0.533  1.0
  F  F7  1  0.346  0.283  0.033  1.0
  F  F8  1  0.915  0.248  0.120  1.0
  F  F9  1  0.085  0.752  0.880  1.0
  F  F10  1  0.372  0.205  0.620  1.0
  F  F11  1  0.628  0.795  0.380  1.0
  Mn  Mn12  1  0.500  0.000  0.500  1.0
  Mn  Mn13  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by MnCdF5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with four equivalent Cd(1)F7 pentagonal bipyramids, and edges with two equivalent Cd(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. In the second Mn site, Mn(2) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with four equivalent Cd(1)F7 pentagonal bipyramids, and edges with two equivalent Cd(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. Cd(1) is bonded to one F(2), one F(4), one F(5), two equivalent F(1), and two equivalent F(3) atoms to form CdF7 pentagonal bipyramids that share corners with two equivalent Mn(1)F6 octahedra, corners with two equivalent Mn(2)F6 octahedra,  an edgeedge with one Mn(1)F6 octahedra,  an edgeedge with one Mn(2)F6 octahedra, and edges with two equivalent Cd(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 1-38°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Cd(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Cd(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(2) and two equivalent Cd(1) atoms. In the fourth F site, F(4) is bonded in a linear geometry to one Mn(1) and one Cd(1) atom. In the fifth F site, F(5) is bonded in a linear geometry to one Mn(2) and one Cd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnCdF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.487
_cell_length_b   5.487
_cell_length_c   7.739
_cell_angle_alpha   97.452
_cell_angle_beta   110.223
_cell_angle_gamma   109.237
_symmetry_Int_Tables_number   1
_cell_volume   198.460
_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
  Cd  Cd0  1  0.794  0.544  0.250  1.0
  Cd  Cd1  1  0.206  0.456  0.750  1.0
  F  F2  1  0.654  0.717  0.967  1.0
  F  F3  1  0.750  0.313  0.467  1.0
  F  F4  1  0.851  0.101  0.750  1.0
  F  F5  1  0.149  0.899  0.250  1.0
  F  F6  1  0.250  0.687  0.533  1.0
  F  F7  1  0.346  0.283  0.033  1.0
  F  F8  1  0.915  0.248  0.120  1.0
  F  F9  1  0.085  0.752  0.880  1.0
  F  F10  1  0.372  0.205  0.620  1.0
  F  F11  1  0.628  0.795  0.380  1.0
  Mn  Mn12  1  0.500  0.000  0.500  1.0
  Mn  Mn13  1  0.000  0.000  0.000  1.0
[/CIF]
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