The structure described by UMn(OF2)3 crystallizes in the monoclinic C2/c space group. U(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Mn(1) is bonded in an octahedral geometry to two equivalent O(2), two equivalent F(2), and two equivalent F(3) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one U(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Mn(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one U(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one U(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one U(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_UMn(OF2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.629
_cell_length_b   6.629
_cell_length_c   8.687
_cell_angle_alpha   77.562
_cell_angle_beta   77.562
_cell_angle_gamma   67.228
_symmetry_Int_Tables_number   1
_cell_volume   340.015
_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
  U  U0  1  0.123  0.877  0.250  1.0
  U  U1  1  0.877  0.123  0.750  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.370  0.630  0.250  1.0
  O  O5  1  0.630  0.370  0.750  1.0
  O  O6  1  0.722  0.607  0.012  1.0
  O  O7  1  0.393  0.278  0.488  1.0
  O  O8  1  0.278  0.393  0.988  1.0
  O  O9  1  0.607  0.722  0.512  1.0
  F  F10  1  0.226  0.929  0.010  1.0
  F  F11  1  0.071  0.774  0.490  1.0
  F  F12  1  0.982  0.255  0.165  1.0
  F  F13  1  0.745  0.018  0.335  1.0
  F  F14  1  0.982  0.660  0.166  1.0
  F  F15  1  0.340  0.018  0.334  1.0
  F  F16  1  0.018  0.745  0.835  1.0
  F  F17  1  0.255  0.982  0.665  1.0
  F  F18  1  0.774  0.071  0.990  1.0
  F  F19  1  0.929  0.226  0.510  1.0
  F  F20  1  0.018  0.340  0.834  1.0
  F  F21  1  0.660  0.982  0.666  1.0
[/CIF]
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The structure described by UMn(OF2)3 crystallizes in the monoclinic C2/c space group. U(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Mn(1) is bonded in an octahedral geometry to two equivalent O(2), two equivalent F(2), and two equivalent F(3) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one U(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Mn(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one U(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one U(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one U(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_UMn(OF2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.629
_cell_length_b   6.629
_cell_length_c   8.687
_cell_angle_alpha   77.562
_cell_angle_beta   77.562
_cell_angle_gamma   67.228
_symmetry_Int_Tables_number   1
_cell_volume   340.015
_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
  U  U0  1  0.123  0.877  0.250  1.0
  U  U1  1  0.877  0.123  0.750  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.370  0.630  0.250  1.0
  O  O5  1  0.630  0.370  0.750  1.0
  O  O6  1  0.722  0.607  0.012  1.0
  O  O7  1  0.393  0.278  0.488  1.0
  O  O8  1  0.278  0.393  0.988  1.0
  O  O9  1  0.607  0.722  0.512  1.0
  F  F10  1  0.226  0.929  0.010  1.0
  F  F11  1  0.071  0.774  0.490  1.0
  F  F12  1  0.982  0.255  0.165  1.0
  F  F13  1  0.745  0.018  0.335  1.0
  F  F14  1  0.982  0.660  0.166  1.0
  F  F15  1  0.340  0.018  0.334  1.0
  F  F16  1  0.018  0.745  0.835  1.0
  F  F17  1  0.255  0.982  0.665  1.0
  F  F18  1  0.774  0.071  0.990  1.0
  F  F19  1  0.929  0.226  0.510  1.0
  F  F20  1  0.018  0.340  0.834  1.0
  F  F21  1  0.660  0.982  0.666  1.0
[/CIF]
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