The structure described by CrMnF5 crystallizes in the monoclinic C2/c space group. Cr(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form CrF6 octahedra that share corners with two equivalent Cr(1)F6 octahedra, corners with four equivalent Mn(1)F7 pentagonal bipyramids, and edges with two equivalent Mn(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. Mn(1) is bonded to one F(2), two equivalent F(1), and four equivalent F(3) atoms to form distorted MnF7 pentagonal bipyramids that share corners with four equivalent Cr(1)F6 octahedra, edges with two equivalent Cr(1)F6 octahedra, and edges with two equivalent Mn(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 6-36°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Cr(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Cr(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Cr(1) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_MnCrF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.325
_cell_length_b   5.325
_cell_length_c   7.353
_cell_angle_alpha   69.718
_cell_angle_beta   69.718
_cell_angle_gamma   72.159
_symmetry_Int_Tables_number   1
_cell_volume   179.261
_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
  Mn  Mn0  1  0.461  0.539  0.750  1.0
  Mn  Mn1  1  0.539  0.461  0.250  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.500  1.0
  F  F4  1  0.275  0.209  0.371  1.0
  F  F5  1  0.791  0.725  0.129  1.0
  F  F6  1  0.725  0.791  0.629  1.0
  F  F7  1  0.209  0.275  0.871  1.0
  F  F8  1  0.094  0.906  0.750  1.0
  F  F9  1  0.906  0.094  0.250  1.0
  F  F10  1  0.318  0.718  0.035  1.0
  F  F11  1  0.282  0.682  0.465  1.0
  F  F12  1  0.682  0.282  0.965  1.0
  F  F13  1  0.718  0.318  0.535  1.0
[/CIF]
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The structure described by CrMnF5 crystallizes in the monoclinic C2/c space group. Cr(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form CrF6 octahedra that share corners with two equivalent Cr(1)F6 octahedra, corners with four equivalent Mn(1)F7 pentagonal bipyramids, and edges with two equivalent Mn(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. Mn(1) is bonded to one F(2), two equivalent F(1), and four equivalent F(3) atoms to form distorted MnF7 pentagonal bipyramids that share corners with four equivalent Cr(1)F6 octahedra, edges with two equivalent Cr(1)F6 octahedra, and edges with two equivalent Mn(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 6-36°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Cr(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Cr(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Cr(1) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_MnCrF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.325
_cell_length_b   5.325
_cell_length_c   7.353
_cell_angle_alpha   69.718
_cell_angle_beta   69.718
_cell_angle_gamma   72.159
_symmetry_Int_Tables_number   1
_cell_volume   179.261
_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
  Mn  Mn0  1  0.461  0.539  0.750  1.0
  Mn  Mn1  1  0.539  0.461  0.250  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.500  1.0
  F  F4  1  0.275  0.209  0.371  1.0
  F  F5  1  0.791  0.725  0.129  1.0
  F  F6  1  0.725  0.791  0.629  1.0
  F  F7  1  0.209  0.275  0.871  1.0
  F  F8  1  0.094  0.906  0.750  1.0
  F  F9  1  0.906  0.094  0.250  1.0
  F  F10  1  0.318  0.718  0.035  1.0
  F  F11  1  0.282  0.682  0.465  1.0
  F  F12  1  0.682  0.282  0.965  1.0
  F  F13  1  0.718  0.318  0.535  1.0
[/CIF]
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