The compound described by MgVCrP2(O4F)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms to form distorted MgO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Cr(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 50°. 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 Mg(1)O4F2 octahedra, corners with two equivalent Cr(1)O4F2 octahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-50°. Cr(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms to form CrO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 47°. 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 Mg(1)O4F2 octahedra, corners with two equivalent V(1)O4F2 octahedra, and corners with two equivalent Cr(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 28-46°. 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 3-coordinate geometry to one Mg(1), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(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 T-shaped geometry to one Mg(1), one V(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgVCrP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.464
_cell_length_b   5.148
_cell_length_c   7.394
_cell_angle_alpha   108.106
_cell_angle_beta   110.880
_cell_angle_gamma   91.841
_symmetry_Int_Tables_number   1
_cell_volume   182.275
_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  0.000  0.500  0.500  1.0
  V  V1  1  0.000  0.000  0.000  1.0
  Cr  Cr2  1  0.500  0.500  0.500  1.0
  P  P3  1  0.395  0.112  0.753  1.0
  P  P4  1  0.605  0.888  0.247  1.0
  O  O5  1  0.233  0.149  0.887  1.0
  O  O6  1  0.309  0.807  0.592  1.0
  O  O7  1  0.317  0.315  0.629  1.0
  O  O8  1  0.304  0.828  0.132  1.0
  O  O9  1  0.696  0.172  0.868  1.0
  O  O10  1  0.683  0.685  0.371  1.0
  O  O11  1  0.691  0.193  0.408  1.0
  O  O12  1  0.767  0.851  0.113  1.0
  F  F13  1  0.144  0.357  0.269  1.0
  F  F14  1  0.856  0.643  0.731  1.0
[/CIF]
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The compound described by MgVCrP2(O4F)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms to form distorted MgO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Cr(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 50°. 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 Mg(1)O4F2 octahedra, corners with two equivalent Cr(1)O4F2 octahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-50°. Cr(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms to form CrO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 47°. 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 Mg(1)O4F2 octahedra, corners with two equivalent V(1)O4F2 octahedra, and corners with two equivalent Cr(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 28-46°. 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 3-coordinate geometry to one Mg(1), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(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 T-shaped geometry to one Mg(1), one V(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgVCrP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.464
_cell_length_b   5.148
_cell_length_c   7.394
_cell_angle_alpha   108.106
_cell_angle_beta   110.880
_cell_angle_gamma   91.841
_symmetry_Int_Tables_number   1
_cell_volume   182.275
_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  0.000  0.500  0.500  1.0
  V  V1  1  0.000  0.000  0.000  1.0
  Cr  Cr2  1  0.500  0.500  0.500  1.0
  P  P3  1  0.395  0.112  0.753  1.0
  P  P4  1  0.605  0.888  0.247  1.0
  O  O5  1  0.233  0.149  0.887  1.0
  O  O6  1  0.309  0.807  0.592  1.0
  O  O7  1  0.317  0.315  0.629  1.0
  O  O8  1  0.304  0.828  0.132  1.0
  O  O9  1  0.696  0.172  0.868  1.0
  O  O10  1  0.683  0.685  0.371  1.0
  O  O11  1  0.691  0.193  0.408  1.0
  O  O12  1  0.767  0.851  0.113  1.0
  F  F13  1  0.144  0.357  0.269  1.0
  F  F14  1  0.856  0.643  0.731  1.0
[/CIF]
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