The material structure described by Mg2V2O5 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(4), one O(5), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing MgO4 trigonal pyramids. In the second Mg site, Mg(2) is bonded to one O(4), one O(5), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing MgO4 trigonal pyramids. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one V(1), and one V(2) atom to form a mixture of distorted corner and edge-sharing OMg2V2 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Mg(2), one V(1), and one V(2) atom to form a mixture of distorted corner and edge-sharing OMg2V2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Mg(2), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OMg2V2 tetrahedra. In the fifth O site, O(5) is bonded to one Mg(1), one Mg(2), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing OMg2V2 tetrahedra. is represented by the CIF file [CIF]
data_Mg2V2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.509
_cell_length_b   5.819
_cell_length_c   10.843
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.397
_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  0.000  0.062  0.896  1.0
  Mg  Mg1  1  0.000  0.441  0.104  1.0
  Mg  Mg2  1  0.000  0.559  0.604  1.0
  Mg  Mg3  1  0.000  0.938  0.396  1.0
  V  V4  1  0.500  0.018  0.635  1.0
  V  V5  1  0.500  0.482  0.365  1.0
  V  V6  1  0.500  0.982  0.135  1.0
  V  V7  1  0.500  0.518  0.865  1.0
  O  O8  1  0.500  0.257  0.504  1.0
  O  O9  1  0.500  0.879  0.302  1.0
  O  O10  1  0.500  0.378  0.198  1.0
  O  O11  1  0.500  0.121  0.802  1.0
  O  O12  1  0.000  0.088  0.082  1.0
  O  O13  1  0.000  0.415  0.918  1.0
  O  O14  1  0.500  0.622  0.698  1.0
  O  O15  1  0.000  0.912  0.582  1.0
  O  O16  1  0.500  0.743  0.004  1.0
  O  O17  1  0.000  0.585  0.418  1.0
[/CIF]
.
The material structure described by Mg2V2O5 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(4), one O(5), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing MgO4 trigonal pyramids. In the second Mg site, Mg(2) is bonded to one O(4), one O(5), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing MgO4 trigonal pyramids. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one V(1), and one V(2) atom to form a mixture of distorted corner and edge-sharing OMg2V2 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Mg(2), one V(1), and one V(2) atom to form a mixture of distorted corner and edge-sharing OMg2V2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Mg(2), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OMg2V2 tetrahedra. In the fifth O site, O(5) is bonded to one Mg(1), one Mg(2), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing OMg2V2 tetrahedra. is represented by the CIF file [CIF]
data_Mg2V2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.509
_cell_length_b   5.819
_cell_length_c   10.843
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.397
_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  0.000  0.062  0.896  1.0
  Mg  Mg1  1  0.000  0.441  0.104  1.0
  Mg  Mg2  1  0.000  0.559  0.604  1.0
  Mg  Mg3  1  0.000  0.938  0.396  1.0
  V  V4  1  0.500  0.018  0.635  1.0
  V  V5  1  0.500  0.482  0.365  1.0
  V  V6  1  0.500  0.982  0.135  1.0
  V  V7  1  0.500  0.518  0.865  1.0
  O  O8  1  0.500  0.257  0.504  1.0
  O  O9  1  0.500  0.879  0.302  1.0
  O  O10  1  0.500  0.378  0.198  1.0
  O  O11  1  0.500  0.121  0.802  1.0
  O  O12  1  0.000  0.088  0.082  1.0
  O  O13  1  0.000  0.415  0.918  1.0
  O  O14  1  0.500  0.622  0.698  1.0
  O  O15  1  0.000  0.912  0.582  1.0
  O  O16  1  0.500  0.743  0.004  1.0
  O  O17  1  0.000  0.585  0.418  1.0
[/CIF]
.