The compound described by SrMnOF5 crystallizes in the monoclinic P2_1/m space group. Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(1), one F(1), two equivalent F(2), and four equivalent F(3) atoms. Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 40°. O(1) is bonded in a bent 150 degrees geometry to two equivalent Sr(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Sr(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Sr(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_SrMnOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.799
_cell_length_b   5.369
_cell_length_c   6.080
_cell_angle_alpha   69.601
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.642
_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
  Sr  Sr0  1  0.250  0.914  0.384  1.0
  Sr  Sr1  1  0.750  0.086  0.616  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.250  0.344  0.558  1.0
  O  O5  1  0.750  0.656  0.442  1.0
  F  F6  1  0.250  0.359  0.037  1.0
  F  F7  1  0.750  0.641  0.963  1.0
  F  F8  1  0.055  0.714  0.174  1.0
  F  F9  1  0.555  0.286  0.826  1.0
  F  F10  1  0.945  0.286  0.826  1.0
  F  F11  1  0.445  0.714  0.174  1.0
  F  F12  1  0.038  0.789  0.714  1.0
  F  F13  1  0.538  0.211  0.286  1.0
  F  F14  1  0.962  0.211  0.286  1.0
  F  F15  1  0.462  0.789  0.714  1.0
[/CIF]
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The compound described by SrMnOF5 crystallizes in the monoclinic P2_1/m space group. Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(1), one F(1), two equivalent F(2), and four equivalent F(3) atoms. Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 40°. O(1) is bonded in a bent 150 degrees geometry to two equivalent Sr(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Sr(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Sr(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_SrMnOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.799
_cell_length_b   5.369
_cell_length_c   6.080
_cell_angle_alpha   69.601
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.642
_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
  Sr  Sr0  1  0.250  0.914  0.384  1.0
  Sr  Sr1  1  0.750  0.086  0.616  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.250  0.344  0.558  1.0
  O  O5  1  0.750  0.656  0.442  1.0
  F  F6  1  0.250  0.359  0.037  1.0
  F  F7  1  0.750  0.641  0.963  1.0
  F  F8  1  0.055  0.714  0.174  1.0
  F  F9  1  0.555  0.286  0.826  1.0
  F  F10  1  0.945  0.286  0.826  1.0
  F  F11  1  0.445  0.714  0.174  1.0
  F  F12  1  0.038  0.789  0.714  1.0
  F  F13  1  0.538  0.211  0.286  1.0
  F  F14  1  0.962  0.211  0.286  1.0
  F  F15  1  0.462  0.789  0.714  1.0
[/CIF]
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