The material described by MgV6O11F crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(2), one O(3), one O(6), one O(9), and one F(1) atom to form MgO5F octahedra that share corners with two equivalent V(1)O5F octahedra, corners with two equivalent V(2)O6 octahedra, edges with two equivalent V(5)O5F octahedra, edges with two equivalent V(6)O6 octahedra, and faces with two equivalent V(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 41-52°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one F(1) atom to form distorted VO5F octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with four equivalent V(5)O5F octahedra, corners with four equivalent V(4)O6 octahedra,  an edgeedge with one V(3)O5F octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with four equivalent V(4)O6 octahedra, corners with four equivalent V(6)O6 octahedra,  an edgeedge with one V(1)O5F octahedra, and  an edgeedge with one V(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the third V site, V(3) is bonded to one O(11), one O(2), one O(3), one O(6), one O(9), and one F(1) atom to form VO5F octahedra that share corners with four equivalent V(5)O5F octahedra, corners with four equivalent V(6)O6 octahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one V(2)O6 octahedra, and faces with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the fourth V site, V(4) is bonded to one O(1), one O(10), one O(4), one O(5), one O(7), and one O(8) atom to form distorted VO6 octahedra that share corners with four equivalent V(1)O5F octahedra, corners with four equivalent V(2)O6 octahedra,  an edgeedge with one V(5)O5F octahedra, and  an edgeedge with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the fifth V site, V(5) is bonded to one O(3), one O(4), one O(6), one O(7), one O(9), and one F(1) atom to form VO5F octahedra that share corners with four equivalent V(1)O5F octahedra, corners with four equivalent V(3)O5F octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 42-60°. In the sixth V site, V(6) is bonded to one O(11), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share corners with four equivalent V(3)O5F octahedra, corners with four equivalent V(2)O6 octahedra,  an edgeedge with one V(5)O5F octahedra,  an edgeedge with one V(4)O6 octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 40-54°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(4) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(2), one V(3), and one V(6) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), one V(3), and one V(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the sixth O site, O(6) is bonded to one Mg(1), one V(3), one V(5), and one V(6) atom to form a mixture of corner and edge-sharing OMgV3 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(1), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the ninth O site, O(9) is bonded to one Mg(1), one V(3), one V(5), and one V(6) atom to form a mixture of corner and edge-sharing OMgV3 trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(2), one V(3), and one V(6) atom. F(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one V(3), and one V(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.831
_cell_length_b   4.748
_cell_length_c   9.021
_cell_angle_alpha   90.212
_cell_angle_beta   89.271
_cell_angle_gamma   92.977
_symmetry_Int_Tables_number   1
_cell_volume   206.606
_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  0.501  0.012  0.662  1.0
  V  V1  1  0.023  0.975  0.018  1.0
  V  V2  1  0.003  0.001  0.339  1.0
  V  V3  1  1.000  0.992  0.667  1.0
  V  V4  1  0.541  0.461  0.170  1.0
  V  V5  1  0.469  0.524  0.846  1.0
  V  V6  1  0.487  0.513  0.493  1.0
  O  O7  1  0.198  0.816  0.172  1.0
  O  O8  1  0.239  0.811  0.510  1.0
  O  O9  1  0.219  0.842  0.835  1.0
  O  O10  1  0.286  0.310  0.010  1.0
  O  O11  1  0.305  0.314  0.335  1.0
  O  O12  1  0.278  0.328  0.669  1.0
  O  O13  1  0.721  0.701  0.006  1.0
  O  O14  1  0.706  0.681  0.335  1.0
  O  O15  1  0.706  0.677  0.672  1.0
  O  O16  1  0.796  0.197  0.168  1.0
  O  O17  1  0.778  0.179  0.512  1.0
  F  F18  1  0.757  0.180  0.830  1.0
[/CIF]
.
The material described by MgV6O11F crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(2), one O(3), one O(6), one O(9), and one F(1) atom to form MgO5F octahedra that share corners with two equivalent V(1)O5F octahedra, corners with two equivalent V(2)O6 octahedra, edges with two equivalent V(5)O5F octahedra, edges with two equivalent V(6)O6 octahedra, and faces with two equivalent V(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 41-52°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one F(1) atom to form distorted VO5F octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with four equivalent V(5)O5F octahedra, corners with four equivalent V(4)O6 octahedra,  an edgeedge with one V(3)O5F octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with four equivalent V(4)O6 octahedra, corners with four equivalent V(6)O6 octahedra,  an edgeedge with one V(1)O5F octahedra, and  an edgeedge with one V(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the third V site, V(3) is bonded to one O(11), one O(2), one O(3), one O(6), one O(9), and one F(1) atom to form VO5F octahedra that share corners with four equivalent V(5)O5F octahedra, corners with four equivalent V(6)O6 octahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one V(2)O6 octahedra, and faces with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the fourth V site, V(4) is bonded to one O(1), one O(10), one O(4), one O(5), one O(7), and one O(8) atom to form distorted VO6 octahedra that share corners with four equivalent V(1)O5F octahedra, corners with four equivalent V(2)O6 octahedra,  an edgeedge with one V(5)O5F octahedra, and  an edgeedge with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the fifth V site, V(5) is bonded to one O(3), one O(4), one O(6), one O(7), one O(9), and one F(1) atom to form VO5F octahedra that share corners with four equivalent V(1)O5F octahedra, corners with four equivalent V(3)O5F octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 42-60°. In the sixth V site, V(6) is bonded to one O(11), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share corners with four equivalent V(3)O5F octahedra, corners with four equivalent V(2)O6 octahedra,  an edgeedge with one V(5)O5F octahedra,  an edgeedge with one V(4)O6 octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 40-54°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(4) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(2), one V(3), and one V(6) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), one V(3), and one V(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the sixth O site, O(6) is bonded to one Mg(1), one V(3), one V(5), and one V(6) atom to form a mixture of corner and edge-sharing OMgV3 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(1), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the ninth O site, O(9) is bonded to one Mg(1), one V(3), one V(5), and one V(6) atom to form a mixture of corner and edge-sharing OMgV3 trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(2), one V(3), and one V(6) atom. F(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one V(3), and one V(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.831
_cell_length_b   4.748
_cell_length_c   9.021
_cell_angle_alpha   90.212
_cell_angle_beta   89.271
_cell_angle_gamma   92.977
_symmetry_Int_Tables_number   1
_cell_volume   206.606
_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  0.501  0.012  0.662  1.0
  V  V1  1  0.023  0.975  0.018  1.0
  V  V2  1  0.003  0.001  0.339  1.0
  V  V3  1  1.000  0.992  0.667  1.0
  V  V4  1  0.541  0.461  0.170  1.0
  V  V5  1  0.469  0.524  0.846  1.0
  V  V6  1  0.487  0.513  0.493  1.0
  O  O7  1  0.198  0.816  0.172  1.0
  O  O8  1  0.239  0.811  0.510  1.0
  O  O9  1  0.219  0.842  0.835  1.0
  O  O10  1  0.286  0.310  0.010  1.0
  O  O11  1  0.305  0.314  0.335  1.0
  O  O12  1  0.278  0.328  0.669  1.0
  O  O13  1  0.721  0.701  0.006  1.0
  O  O14  1  0.706  0.681  0.335  1.0
  O  O15  1  0.706  0.677  0.672  1.0
  O  O16  1  0.796  0.197  0.168  1.0
  O  O17  1  0.778  0.179  0.512  1.0
  F  F18  1  0.757  0.180  0.830  1.0
[/CIF]
.