The material structure described by Mn(BF4)2 crystallizes in the orthorhombic Pnma space group. Mn(1) is bonded to one F(1), one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms to form distorted MnF7 pentagonal bipyramids that share corners with three equivalent B(2)F4 tetrahedra and corners with four equivalent B(1)F4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to one F(1), one F(3), and two equivalent F(5) atoms to form BF4 tetrahedra that share corners with four equivalent Mn(1)F7 pentagonal bipyramids. In the second B site, B(2) is bonded to one F(2), one F(6), and two equivalent F(4) atoms to form BF4 tetrahedra that share corners with three equivalent Mn(1)F7 pentagonal bipyramids. There are six inequivalent F sites. In the first F site, F(6) is bonded in a single-bond geometry to one B(2) atom. In the second F site, F(1) is bonded in a distorted single-bond geometry to one Mn(1) and one B(1) atom. In the third F site, F(2) is bonded in a distorted single-bond geometry to one Mn(1) and one B(2) atom. In the fourth F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one B(1) atom. In the fifth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one B(2) atom. In the sixth F site, F(5) is bonded in a distorted linear geometry to one Mn(1) and one B(1) atom. is represented by the CIF file [CIF]
data_MnB2F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.425
_cell_length_b   8.534
_cell_length_c   10.759
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   498.064
_cell_formula_units_Z   4
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  0.250  0.252  0.608  1.0
  Mn  Mn1  1  0.750  0.748  0.392  1.0
  Mn  Mn2  1  0.250  0.752  0.892  1.0
  Mn  Mn3  1  0.750  0.248  0.108  1.0
  B  B4  1  0.250  0.351  0.909  1.0
  B  B5  1  0.750  0.649  0.091  1.0
  B  B6  1  0.250  0.851  0.591  1.0
  B  B7  1  0.750  0.149  0.409  1.0
  B  B8  1  0.250  1.000  0.158  1.0
  B  B9  1  0.750  0.000  0.842  1.0
  B  B10  1  0.250  0.500  0.342  1.0
  B  B11  1  0.750  0.500  0.658  1.0
  F  F12  1  0.250  0.237  0.816  1.0
  F  F13  1  0.250  0.929  0.040  1.0
  F  F14  1  0.750  0.571  0.540  1.0
  F  F15  1  0.250  0.429  0.460  1.0
  F  F16  1  0.750  0.498  0.143  1.0
  F  F17  1  0.250  0.502  0.857  1.0
  F  F18  1  0.750  0.998  0.357  1.0
  F  F19  1  0.250  0.002  0.643  1.0
  F  F20  1  0.039  0.098  0.166  1.0
  F  F21  1  0.539  0.902  0.834  1.0
  F  F22  1  0.461  0.598  0.334  1.0
  F  F23  1  0.750  0.071  0.960  1.0
  F  F24  1  0.961  0.902  0.834  1.0
  F  F25  1  0.461  0.098  0.166  1.0
  F  F26  1  0.539  0.402  0.666  1.0
  F  F27  1  0.039  0.598  0.334  1.0
  F  F28  1  0.038  0.334  0.983  1.0
  F  F29  1  0.538  0.666  0.017  1.0
  F  F30  1  0.462  0.834  0.517  1.0
  F  F31  1  0.962  0.166  0.483  1.0
  F  F32  1  0.962  0.666  0.017  1.0
  F  F33  1  0.462  0.334  0.983  1.0
  F  F34  1  0.538  0.166  0.483  1.0
  F  F35  1  0.038  0.834  0.517  1.0
  F  F36  1  0.750  0.108  0.748  1.0
  F  F37  1  0.250  0.892  0.252  1.0
  F  F38  1  0.750  0.608  0.752  1.0
  F  F39  1  0.250  0.392  0.248  1.0
  F  F40  1  0.250  0.737  0.684  1.0
  F  F41  1  0.750  0.263  0.316  1.0
  F  F42  1  0.961  0.402  0.666  1.0
  F  F43  1  0.750  0.763  0.184  1.0
[/CIF]
.
The material structure described by Mn(BF4)2 crystallizes in the orthorhombic Pnma space group. Mn(1) is bonded to one F(1), one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms to form distorted MnF7 pentagonal bipyramids that share corners with three equivalent B(2)F4 tetrahedra and corners with four equivalent B(1)F4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to one F(1), one F(3), and two equivalent F(5) atoms to form BF4 tetrahedra that share corners with four equivalent Mn(1)F7 pentagonal bipyramids. In the second B site, B(2) is bonded to one F(2), one F(6), and two equivalent F(4) atoms to form BF4 tetrahedra that share corners with three equivalent Mn(1)F7 pentagonal bipyramids. There are six inequivalent F sites. In the first F site, F(6) is bonded in a single-bond geometry to one B(2) atom. In the second F site, F(1) is bonded in a distorted single-bond geometry to one Mn(1) and one B(1) atom. In the third F site, F(2) is bonded in a distorted single-bond geometry to one Mn(1) and one B(2) atom. In the fourth F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one B(1) atom. In the fifth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one B(2) atom. In the sixth F site, F(5) is bonded in a distorted linear geometry to one Mn(1) and one B(1) atom. is represented by the CIF file [CIF]
data_MnB2F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.425
_cell_length_b   8.534
_cell_length_c   10.759
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   498.064
_cell_formula_units_Z   4
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  0.250  0.252  0.608  1.0
  Mn  Mn1  1  0.750  0.748  0.392  1.0
  Mn  Mn2  1  0.250  0.752  0.892  1.0
  Mn  Mn3  1  0.750  0.248  0.108  1.0
  B  B4  1  0.250  0.351  0.909  1.0
  B  B5  1  0.750  0.649  0.091  1.0
  B  B6  1  0.250  0.851  0.591  1.0
  B  B7  1  0.750  0.149  0.409  1.0
  B  B8  1  0.250  1.000  0.158  1.0
  B  B9  1  0.750  0.000  0.842  1.0
  B  B10  1  0.250  0.500  0.342  1.0
  B  B11  1  0.750  0.500  0.658  1.0
  F  F12  1  0.250  0.237  0.816  1.0
  F  F13  1  0.250  0.929  0.040  1.0
  F  F14  1  0.750  0.571  0.540  1.0
  F  F15  1  0.250  0.429  0.460  1.0
  F  F16  1  0.750  0.498  0.143  1.0
  F  F17  1  0.250  0.502  0.857  1.0
  F  F18  1  0.750  0.998  0.357  1.0
  F  F19  1  0.250  0.002  0.643  1.0
  F  F20  1  0.039  0.098  0.166  1.0
  F  F21  1  0.539  0.902  0.834  1.0
  F  F22  1  0.461  0.598  0.334  1.0
  F  F23  1  0.750  0.071  0.960  1.0
  F  F24  1  0.961  0.902  0.834  1.0
  F  F25  1  0.461  0.098  0.166  1.0
  F  F26  1  0.539  0.402  0.666  1.0
  F  F27  1  0.039  0.598  0.334  1.0
  F  F28  1  0.038  0.334  0.983  1.0
  F  F29  1  0.538  0.666  0.017  1.0
  F  F30  1  0.462  0.834  0.517  1.0
  F  F31  1  0.962  0.166  0.483  1.0
  F  F32  1  0.962  0.666  0.017  1.0
  F  F33  1  0.462  0.334  0.983  1.0
  F  F34  1  0.538  0.166  0.483  1.0
  F  F35  1  0.038  0.834  0.517  1.0
  F  F36  1  0.750  0.108  0.748  1.0
  F  F37  1  0.250  0.892  0.252  1.0
  F  F38  1  0.750  0.608  0.752  1.0
  F  F39  1  0.250  0.392  0.248  1.0
  F  F40  1  0.250  0.737  0.684  1.0
  F  F41  1  0.750  0.263  0.316  1.0
  F  F42  1  0.961  0.402  0.666  1.0
  F  F43  1  0.750  0.763  0.184  1.0
[/CIF]
.