The structure described by Mg3V3(AsO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(7) atom. In the second Mg site, Mg(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form MgO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. In the second V site, V(2) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(7) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second As site, As(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(5), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(7) is bonded to one Mg(1), one V(1), one V(2), and one As(2) atom to form distorted corner-sharing OMgV2As tetrahedra. In the second O site, O(8) is bonded in a 3-coordinate geometry to one Mg(2), one V(1), and one As(1) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one As(1) atom. In the fourth O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mg(2), one V(1), and one As(2) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one Mg(1) and one As(2) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one As(1) atom. In the seventh O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), one V(2), and one As(2) atom. In the eighth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mg(2) and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg3V3(AsO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.234
_cell_length_b   8.998
_cell_length_c   15.512
_cell_angle_alpha   70.936
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   690.554
_cell_formula_units_Z   2
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  0.566  0.299  0.210  1.0
  Mg  Mg1  1  0.066  0.701  0.290  1.0
  Mg  Mg2  1  0.434  0.701  0.790  1.0
  Mg  Mg3  1  0.934  0.299  0.710  1.0
  Mg  Mg4  1  0.500  0.000  0.500  1.0
  Mg  Mg5  1  0.000  0.000  0.000  1.0
  V  V6  1  0.438  0.236  0.619  1.0
  V  V7  1  0.562  0.764  0.381  1.0
  V  V8  1  0.938  0.764  0.881  1.0
  V  V9  1  0.062  0.236  0.119  1.0
  V  V10  1  0.000  0.500  0.500  1.0
  V  V11  1  0.500  0.500  0.000  1.0
  As  As12  1  0.999  0.048  0.347  1.0
  As  As13  1  0.518  0.391  0.397  1.0
  As  As14  1  0.018  0.609  0.103  1.0
  As  As15  1  0.982  0.391  0.897  1.0
  As  As16  1  0.001  0.952  0.653  1.0
  As  As17  1  0.482  0.609  0.603  1.0
  As  As18  1  0.501  0.048  0.847  1.0
  As  As19  1  0.499  0.952  0.153  1.0
  O  O20  1  0.427  0.797  0.257  1.0
  O  O21  1  0.893  0.771  0.004  1.0
  O  O22  1  0.382  0.369  0.301  1.0
  O  O23  1  0.382  0.113  0.178  1.0
  O  O24  1  0.618  0.631  0.699  1.0
  O  O25  1  0.073  0.797  0.757  1.0
  O  O26  1  0.882  0.631  0.199  1.0
  O  O27  1  0.693  0.603  0.894  1.0
  O  O28  1  0.683  0.100  0.922  1.0
  O  O29  1  0.573  0.203  0.743  1.0
  O  O30  1  0.118  0.113  0.678  1.0
  O  O31  1  0.307  0.397  0.106  1.0
  O  O32  1  0.301  0.562  0.412  1.0
  O  O33  1  0.317  0.900  0.078  1.0
  O  O34  1  0.688  0.002  0.623  1.0
  O  O35  1  0.188  0.998  0.877  1.0
  O  O36  1  0.801  0.438  0.088  1.0
  O  O37  1  0.118  0.369  0.801  1.0
  O  O38  1  0.183  0.900  0.578  1.0
  O  O39  1  0.193  0.397  0.606  1.0
  O  O40  1  0.812  0.002  0.123  1.0
  O  O41  1  0.312  0.998  0.377  1.0
  O  O42  1  0.107  0.229  0.996  1.0
  O  O43  1  0.393  0.229  0.496  1.0
  O  O44  1  0.699  0.438  0.588  1.0
  O  O45  1  0.927  0.203  0.243  1.0
  O  O46  1  0.618  0.887  0.822  1.0
  O  O47  1  0.817  0.100  0.422  1.0
  O  O48  1  0.607  0.771  0.504  1.0
  O  O49  1  0.807  0.603  0.394  1.0
  O  O50  1  0.199  0.562  0.912  1.0
  O  O51  1  0.882  0.887  0.322  1.0
[/CIF]
.
The structure described by Mg3V3(AsO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(7) atom. In the second Mg site, Mg(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form MgO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. In the second V site, V(2) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(7) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second As site, As(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(5), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(7) is bonded to one Mg(1), one V(1), one V(2), and one As(2) atom to form distorted corner-sharing OMgV2As tetrahedra. In the second O site, O(8) is bonded in a 3-coordinate geometry to one Mg(2), one V(1), and one As(1) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one As(1) atom. In the fourth O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mg(2), one V(1), and one As(2) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one Mg(1) and one As(2) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one As(1) atom. In the seventh O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), one V(2), and one As(2) atom. In the eighth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mg(2) and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg3V3(AsO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.234
_cell_length_b   8.998
_cell_length_c   15.512
_cell_angle_alpha   70.936
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   690.554
_cell_formula_units_Z   2
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  0.566  0.299  0.210  1.0
  Mg  Mg1  1  0.066  0.701  0.290  1.0
  Mg  Mg2  1  0.434  0.701  0.790  1.0
  Mg  Mg3  1  0.934  0.299  0.710  1.0
  Mg  Mg4  1  0.500  0.000  0.500  1.0
  Mg  Mg5  1  0.000  0.000  0.000  1.0
  V  V6  1  0.438  0.236  0.619  1.0
  V  V7  1  0.562  0.764  0.381  1.0
  V  V8  1  0.938  0.764  0.881  1.0
  V  V9  1  0.062  0.236  0.119  1.0
  V  V10  1  0.000  0.500  0.500  1.0
  V  V11  1  0.500  0.500  0.000  1.0
  As  As12  1  0.999  0.048  0.347  1.0
  As  As13  1  0.518  0.391  0.397  1.0
  As  As14  1  0.018  0.609  0.103  1.0
  As  As15  1  0.982  0.391  0.897  1.0
  As  As16  1  0.001  0.952  0.653  1.0
  As  As17  1  0.482  0.609  0.603  1.0
  As  As18  1  0.501  0.048  0.847  1.0
  As  As19  1  0.499  0.952  0.153  1.0
  O  O20  1  0.427  0.797  0.257  1.0
  O  O21  1  0.893  0.771  0.004  1.0
  O  O22  1  0.382  0.369  0.301  1.0
  O  O23  1  0.382  0.113  0.178  1.0
  O  O24  1  0.618  0.631  0.699  1.0
  O  O25  1  0.073  0.797  0.757  1.0
  O  O26  1  0.882  0.631  0.199  1.0
  O  O27  1  0.693  0.603  0.894  1.0
  O  O28  1  0.683  0.100  0.922  1.0
  O  O29  1  0.573  0.203  0.743  1.0
  O  O30  1  0.118  0.113  0.678  1.0
  O  O31  1  0.307  0.397  0.106  1.0
  O  O32  1  0.301  0.562  0.412  1.0
  O  O33  1  0.317  0.900  0.078  1.0
  O  O34  1  0.688  0.002  0.623  1.0
  O  O35  1  0.188  0.998  0.877  1.0
  O  O36  1  0.801  0.438  0.088  1.0
  O  O37  1  0.118  0.369  0.801  1.0
  O  O38  1  0.183  0.900  0.578  1.0
  O  O39  1  0.193  0.397  0.606  1.0
  O  O40  1  0.812  0.002  0.123  1.0
  O  O41  1  0.312  0.998  0.377  1.0
  O  O42  1  0.107  0.229  0.996  1.0
  O  O43  1  0.393  0.229  0.496  1.0
  O  O44  1  0.699  0.438  0.588  1.0
  O  O45  1  0.927  0.203  0.243  1.0
  O  O46  1  0.618  0.887  0.822  1.0
  O  O47  1  0.817  0.100  0.422  1.0
  O  O48  1  0.607  0.771  0.504  1.0
  O  O49  1  0.807  0.603  0.394  1.0
  O  O50  1  0.199  0.562  0.912  1.0
  O  O51  1  0.882  0.887  0.322  1.0
[/CIF]
.