The material structure described by VMnP2(O4F)2 crystallizes in the triclinic P-1 space group. V(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O4F2 octahedra and corners with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 27-46°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. F(1) is bonded in a distorted bent 150 degrees geometry to one V(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnVP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.119
_cell_length_b   5.203
_cell_length_c   7.373
_cell_angle_alpha   108.305
_cell_angle_beta   105.573
_cell_angle_gamma   94.054
_symmetry_Int_Tables_number   1
_cell_volume   177.003
_cell_formula_units_Z   1
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
  F  F0  1  0.117  0.306  0.232  1.0
  F  F1  1  0.883  0.694  0.768  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  O  O3  1  0.262  0.136  0.906  1.0
  O  O4  1  0.738  0.864  0.094  1.0
  O  O5  1  0.346  0.828  0.594  1.0
  O  O6  1  0.654  0.172  0.406  1.0
  O  O7  1  0.356  0.344  0.667  1.0
  O  O8  1  0.643  0.656  0.333  1.0
  O  O9  1  0.261  0.823  0.127  1.0
  O  O10  1  0.739  0.177  0.873  1.0
  P  P11  1  0.426  0.116  0.752  1.0
  P  P12  1  0.574  0.884  0.248  1.0
  V  V13  1  0.000  1.000  1.000  1.0
[/CIF]
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The material structure described by VMnP2(O4F)2 crystallizes in the triclinic P-1 space group. V(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O4F2 octahedra and corners with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 27-46°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. F(1) is bonded in a distorted bent 150 degrees geometry to one V(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnVP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.119
_cell_length_b   5.203
_cell_length_c   7.373
_cell_angle_alpha   108.305
_cell_angle_beta   105.573
_cell_angle_gamma   94.054
_symmetry_Int_Tables_number   1
_cell_volume   177.003
_cell_formula_units_Z   1
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
  F  F0  1  0.117  0.306  0.232  1.0
  F  F1  1  0.883  0.694  0.768  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  O  O3  1  0.262  0.136  0.906  1.0
  O  O4  1  0.738  0.864  0.094  1.0
  O  O5  1  0.346  0.828  0.594  1.0
  O  O6  1  0.654  0.172  0.406  1.0
  O  O7  1  0.356  0.344  0.667  1.0
  O  O8  1  0.643  0.656  0.333  1.0
  O  O9  1  0.261  0.823  0.127  1.0
  O  O10  1  0.739  0.177  0.873  1.0
  P  P11  1  0.426  0.116  0.752  1.0
  P  P12  1  0.574  0.884  0.248  1.0
  V  V13  1  0.000  1.000  1.000  1.0
[/CIF]
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