The crystal structure described by Mg2Ta2VO8 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. Ta(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing VO6 octahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded to three equivalent Mg(1) and one Ta(1) atom to form a mixture of corner and edge-sharing OMg3Ta trigonal pyramids. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one V(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent V(1) atoms. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Mg(1) and two equivalent Ta(1) atoms. is represented by the CIF card [CIF]
data_Mg2Ta2VO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.229
_cell_length_b   6.024
_cell_length_c   10.111
_cell_angle_alpha   107.318
_cell_angle_beta   89.978
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   304.061
_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  0.755  0.586  0.454  1.0
  Mg  Mg1  1  0.745  0.132  0.546  1.0
  Mg  Mg2  1  0.245  0.418  0.546  1.0
  Mg  Mg3  1  0.255  0.872  0.454  1.0
  O  O4  1  0.079  0.819  0.855  1.0
  O  O5  1  0.422  0.965  0.146  1.0
  O  O6  1  0.922  0.185  0.146  1.0
  O  O7  1  0.579  0.039  0.855  1.0
  O  O8  1  0.597  0.568  0.879  1.0
  O  O9  1  0.903  0.689  0.121  1.0
  O  O10  1  0.403  0.435  0.121  1.0
  O  O11  1  0.097  0.314  0.879  1.0
  O  O12  1  0.455  0.712  0.627  1.0
  O  O13  1  0.045  0.085  0.373  1.0
  O  O14  1  0.956  0.919  0.627  1.0
  O  O15  1  0.545  0.292  0.373  1.0
  O  O16  1  0.381  0.163  0.616  1.0
  O  O17  1  0.120  0.547  0.384  1.0
  O  O18  1  0.620  0.840  0.384  1.0
  O  O19  1  0.881  0.457  0.616  1.0
  Ta  Ta20  1  0.745  0.722  0.765  1.0
  Ta  Ta21  1  0.755  0.956  0.235  1.0
  Ta  Ta22  1  0.255  0.282  0.235  1.0
  Ta  Ta23  1  0.245  0.047  0.765  1.0
  V  V24  1  0.750  0.358  0.000  1.0
  V  V25  1  0.250  0.646  0.000  1.0
[/CIF]
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The crystal structure described by Mg2Ta2VO8 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. Ta(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing VO6 octahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded to three equivalent Mg(1) and one Ta(1) atom to form a mixture of corner and edge-sharing OMg3Ta trigonal pyramids. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one V(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent V(1) atoms. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Mg(1) and two equivalent Ta(1) atoms. is represented by the CIF card [CIF]
data_Mg2Ta2VO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.229
_cell_length_b   6.024
_cell_length_c   10.111
_cell_angle_alpha   107.318
_cell_angle_beta   89.978
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   304.061
_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  0.755  0.586  0.454  1.0
  Mg  Mg1  1  0.745  0.132  0.546  1.0
  Mg  Mg2  1  0.245  0.418  0.546  1.0
  Mg  Mg3  1  0.255  0.872  0.454  1.0
  O  O4  1  0.079  0.819  0.855  1.0
  O  O5  1  0.422  0.965  0.146  1.0
  O  O6  1  0.922  0.185  0.146  1.0
  O  O7  1  0.579  0.039  0.855  1.0
  O  O8  1  0.597  0.568  0.879  1.0
  O  O9  1  0.903  0.689  0.121  1.0
  O  O10  1  0.403  0.435  0.121  1.0
  O  O11  1  0.097  0.314  0.879  1.0
  O  O12  1  0.455  0.712  0.627  1.0
  O  O13  1  0.045  0.085  0.373  1.0
  O  O14  1  0.956  0.919  0.627  1.0
  O  O15  1  0.545  0.292  0.373  1.0
  O  O16  1  0.381  0.163  0.616  1.0
  O  O17  1  0.120  0.547  0.384  1.0
  O  O18  1  0.620  0.840  0.384  1.0
  O  O19  1  0.881  0.457  0.616  1.0
  Ta  Ta20  1  0.745  0.722  0.765  1.0
  Ta  Ta21  1  0.755  0.956  0.235  1.0
  Ta  Ta22  1  0.255  0.282  0.235  1.0
  Ta  Ta23  1  0.245  0.047  0.765  1.0
  V  V24  1  0.750  0.358  0.000  1.0
  V  V25  1  0.250  0.646  0.000  1.0
[/CIF]
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