The compound described by MgVAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. Mg(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form MgO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent As(1)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. V(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with four equivalent As(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra and corners with three equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-61°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one As(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mg(1) and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_MgVAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.243
_cell_length_b   8.183
_cell_length_c   8.468
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   432.626
_cell_formula_units_Z   4
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  0.116  0.845  0.681  1.0
  Mg  Mg1  1  0.384  0.155  0.181  1.0
  Mg  Mg2  1  0.884  0.345  0.819  1.0
  Mg  Mg3  1  0.616  0.655  0.319  1.0
  V  V4  1  0.263  0.758  0.006  1.0
  V  V5  1  0.237  0.242  0.506  1.0
  V  V6  1  0.737  0.258  0.494  1.0
  V  V7  1  0.763  0.742  0.994  1.0
  As  As8  1  0.484  0.090  0.819  1.0
  As  As9  1  0.016  0.910  0.319  1.0
  As  As10  1  0.516  0.590  0.681  1.0
  As  As11  1  0.984  0.410  0.181  1.0
  O  O12  1  0.516  0.902  0.911  1.0
  O  O13  1  0.984  0.098  0.411  1.0
  O  O14  1  0.484  0.402  0.589  1.0
  O  O15  1  0.016  0.598  0.089  1.0
  O  O16  1  0.418  0.227  0.962  1.0
  O  O17  1  0.082  0.773  0.462  1.0
  O  O18  1  0.582  0.727  0.538  1.0
  O  O19  1  0.918  0.273  0.038  1.0
  O  O20  1  0.715  0.148  0.724  1.0
  O  O21  1  0.785  0.852  0.224  1.0
  O  O22  1  0.285  0.648  0.776  1.0
  O  O23  1  0.215  0.352  0.276  1.0
  O  O24  1  0.277  0.066  0.683  1.0
  O  O25  1  0.223  0.934  0.183  1.0
  O  O26  1  0.723  0.566  0.817  1.0
  O  O27  1  0.777  0.434  0.317  1.0
  O  O28  1  0.004  0.846  0.896  1.0
  O  O29  1  0.496  0.154  0.396  1.0
  O  O30  1  0.996  0.346  0.604  1.0
  O  O31  1  0.504  0.654  0.104  1.0
[/CIF]
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The compound described by MgVAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. Mg(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form MgO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent As(1)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. V(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with four equivalent As(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra and corners with three equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-61°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one As(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mg(1) and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_MgVAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.243
_cell_length_b   8.183
_cell_length_c   8.468
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   432.626
_cell_formula_units_Z   4
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  0.116  0.845  0.681  1.0
  Mg  Mg1  1  0.384  0.155  0.181  1.0
  Mg  Mg2  1  0.884  0.345  0.819  1.0
  Mg  Mg3  1  0.616  0.655  0.319  1.0
  V  V4  1  0.263  0.758  0.006  1.0
  V  V5  1  0.237  0.242  0.506  1.0
  V  V6  1  0.737  0.258  0.494  1.0
  V  V7  1  0.763  0.742  0.994  1.0
  As  As8  1  0.484  0.090  0.819  1.0
  As  As9  1  0.016  0.910  0.319  1.0
  As  As10  1  0.516  0.590  0.681  1.0
  As  As11  1  0.984  0.410  0.181  1.0
  O  O12  1  0.516  0.902  0.911  1.0
  O  O13  1  0.984  0.098  0.411  1.0
  O  O14  1  0.484  0.402  0.589  1.0
  O  O15  1  0.016  0.598  0.089  1.0
  O  O16  1  0.418  0.227  0.962  1.0
  O  O17  1  0.082  0.773  0.462  1.0
  O  O18  1  0.582  0.727  0.538  1.0
  O  O19  1  0.918  0.273  0.038  1.0
  O  O20  1  0.715  0.148  0.724  1.0
  O  O21  1  0.785  0.852  0.224  1.0
  O  O22  1  0.285  0.648  0.776  1.0
  O  O23  1  0.215  0.352  0.276  1.0
  O  O24  1  0.277  0.066  0.683  1.0
  O  O25  1  0.223  0.934  0.183  1.0
  O  O26  1  0.723  0.566  0.817  1.0
  O  O27  1  0.777  0.434  0.317  1.0
  O  O28  1  0.004  0.846  0.896  1.0
  O  O29  1  0.496  0.154  0.396  1.0
  O  O30  1  0.996  0.346  0.604  1.0
  O  O31  1  0.504  0.654  0.104  1.0
[/CIF]
.