The material structure described by MgVMnP2(O4F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(7), and one F(1) atom. V(1) is bonded to one O(1), one O(4), one O(5), one O(8), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-42°. Mn(1) is bonded to one O(2), one O(3), one O(6), one O(7), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-42°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) 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 31-50°. In the second P site, P(2) is bonded to one O(4), one O(6), one O(7), and one O(8) 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 32-52°. There are eight 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 3-coordinate geometry to one Mg(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one Mn(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_MgMnVP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.077
_cell_length_b   5.497
_cell_length_c   7.526
_cell_angle_alpha   109.376
_cell_angle_beta   103.819
_cell_angle_gamma   94.213
_symmetry_Int_Tables_number   1
_cell_volume   189.695
_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
  Mg  Mg0  1  0.083  0.022  0.411  1.0
  Mn  Mn1  1  0.541  0.513  0.506  1.0
  V  V2  1  0.987  0.002  0.990  1.0
  P  P3  1  0.429  0.124  0.761  1.0
  P  P4  1  0.561  0.867  0.233  1.0
  O  O5  1  0.274  0.135  0.922  1.0
  O  O6  1  0.330  0.854  0.592  1.0
  O  O7  1  0.332  0.320  0.662  1.0
  O  O8  1  0.242  0.828  0.162  1.0
  O  O9  1  0.738  0.191  0.866  1.0
  O  O10  1  0.673  0.660  0.310  1.0
  O  O11  1  0.688  0.137  0.399  1.0
  O  O12  1  0.696  0.863  0.064  1.0
  F  F13  1  0.111  0.277  0.261  1.0
  F  F14  1  0.890  0.706  0.753  1.0
[/CIF]
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The material structure described by MgVMnP2(O4F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(7), and one F(1) atom. V(1) is bonded to one O(1), one O(4), one O(5), one O(8), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-42°. Mn(1) is bonded to one O(2), one O(3), one O(6), one O(7), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-42°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) 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 31-50°. In the second P site, P(2) is bonded to one O(4), one O(6), one O(7), and one O(8) 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 32-52°. There are eight 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 3-coordinate geometry to one Mg(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one Mn(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_MgMnVP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.077
_cell_length_b   5.497
_cell_length_c   7.526
_cell_angle_alpha   109.376
_cell_angle_beta   103.819
_cell_angle_gamma   94.213
_symmetry_Int_Tables_number   1
_cell_volume   189.695
_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
  Mg  Mg0  1  0.083  0.022  0.411  1.0
  Mn  Mn1  1  0.541  0.513  0.506  1.0
  V  V2  1  0.987  0.002  0.990  1.0
  P  P3  1  0.429  0.124  0.761  1.0
  P  P4  1  0.561  0.867  0.233  1.0
  O  O5  1  0.274  0.135  0.922  1.0
  O  O6  1  0.330  0.854  0.592  1.0
  O  O7  1  0.332  0.320  0.662  1.0
  O  O8  1  0.242  0.828  0.162  1.0
  O  O9  1  0.738  0.191  0.866  1.0
  O  O10  1  0.673  0.660  0.310  1.0
  O  O11  1  0.688  0.137  0.399  1.0
  O  O12  1  0.696  0.863  0.064  1.0
  F  F13  1  0.111  0.277  0.261  1.0
  F  F14  1  0.890  0.706  0.753  1.0
[/CIF]
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