The material structure described by MgV4As2O13 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(12), one O(13), one O(2), one O(5), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(9) atom to form distorted VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one As(2)O4 tetrahedra, corners with two equivalent As(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second V site, V(2) is bonded to one O(1), one O(12), one O(2), one O(3), one O(5), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one As(1)O4 tetrahedra,  a cornercorner with one As(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-27°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(6), and one O(7) atom. In the fourth V site, V(4) is bonded to one O(13), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one As(1)O4 tetrahedra, corners with three equivalent As(2)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(10), one O(11), one O(12), and one O(6) atom to form AsO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-60°. In the second As site, As(2) is bonded to one O(13), one O(7), one O(8), and one O(9) atom to form AsO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-62°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a linear geometry to one V(3) and one V(4) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one V(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(3), one V(4), and one As(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(3), one V(4), and one As(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(4) and one As(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one As(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one As(1) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one V(3) and one As(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one As(1) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mg(1), one V(4), and one As(2) atom. is represented by the CIF card [CIF]
data_MgV4As2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.085
_cell_length_b   5.283
_cell_length_c   9.086
_cell_angle_alpha   91.935
_cell_angle_beta   80.735
_cell_angle_gamma   78.437
_symmetry_Int_Tables_number   1
_cell_volume   235.461
_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  0.358  0.285  0.213  1.0
  V  V1  1  0.903  0.157  0.373  1.0
  V  V2  1  0.603  0.726  0.290  1.0
  V  V3  1  0.743  0.953  0.685  1.0
  V  V4  1  0.456  0.477  0.916  1.0
  As  As5  1  0.239  0.430  0.583  1.0
  As  As6  1  0.993  0.022  0.003  1.0
  O  O7  1  0.946  0.457  0.293  1.0
  O  O8  1  0.253  0.973  0.313  1.0
  O  O9  1  0.709  0.922  0.473  1.0
  O  O10  1  0.601  0.739  0.786  1.0
  O  O11  1  0.534  0.548  0.111  1.0
  O  O12  1  0.425  0.283  0.713  1.0
  O  O13  1  0.805  0.164  0.872  1.0
  O  O14  1  0.090  0.700  0.956  1.0
  O  O15  1  0.771  0.035  0.179  1.0
  O  O16  1  0.977  0.267  0.571  1.0
  O  O17  1  0.120  0.747  0.640  1.0
  O  O18  1  0.461  0.418  0.413  1.0
  O  O19  1  0.251  0.179  0.018  1.0
[/CIF]
.
The material structure described by MgV4As2O13 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(12), one O(13), one O(2), one O(5), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(9) atom to form distorted VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one As(2)O4 tetrahedra, corners with two equivalent As(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second V site, V(2) is bonded to one O(1), one O(12), one O(2), one O(3), one O(5), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one As(1)O4 tetrahedra,  a cornercorner with one As(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-27°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(6), and one O(7) atom. In the fourth V site, V(4) is bonded to one O(13), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one As(1)O4 tetrahedra, corners with three equivalent As(2)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(10), one O(11), one O(12), and one O(6) atom to form AsO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-60°. In the second As site, As(2) is bonded to one O(13), one O(7), one O(8), and one O(9) atom to form AsO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-62°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a linear geometry to one V(3) and one V(4) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one V(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(3), one V(4), and one As(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(3), one V(4), and one As(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(4) and one As(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one As(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one As(1) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one V(3) and one As(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one As(1) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mg(1), one V(4), and one As(2) atom. is represented by the CIF card [CIF]
data_MgV4As2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.085
_cell_length_b   5.283
_cell_length_c   9.086
_cell_angle_alpha   91.935
_cell_angle_beta   80.735
_cell_angle_gamma   78.437
_symmetry_Int_Tables_number   1
_cell_volume   235.461
_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  0.358  0.285  0.213  1.0
  V  V1  1  0.903  0.157  0.373  1.0
  V  V2  1  0.603  0.726  0.290  1.0
  V  V3  1  0.743  0.953  0.685  1.0
  V  V4  1  0.456  0.477  0.916  1.0
  As  As5  1  0.239  0.430  0.583  1.0
  As  As6  1  0.993  0.022  0.003  1.0
  O  O7  1  0.946  0.457  0.293  1.0
  O  O8  1  0.253  0.973  0.313  1.0
  O  O9  1  0.709  0.922  0.473  1.0
  O  O10  1  0.601  0.739  0.786  1.0
  O  O11  1  0.534  0.548  0.111  1.0
  O  O12  1  0.425  0.283  0.713  1.0
  O  O13  1  0.805  0.164  0.872  1.0
  O  O14  1  0.090  0.700  0.956  1.0
  O  O15  1  0.771  0.035  0.179  1.0
  O  O16  1  0.977  0.267  0.571  1.0
  O  O17  1  0.120  0.747  0.640  1.0
  O  O18  1  0.461  0.418  0.413  1.0
  O  O19  1  0.251  0.179  0.018  1.0
[/CIF]
.