The structure described by MgY2V2O7 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO5 trigonal bipyramids that share corners with two equivalent V(1)O5 trigonal bipyramids, edges with two equivalent Y(2)O6 octahedra, and edges with two equivalent V(1)O5 trigonal bipyramids. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Y site, Y(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted YO6 octahedra that share corners with four equivalent V(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent V(1)O5 trigonal bipyramids. V(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form VO5 trigonal bipyramids that share corners with two equivalent Y(2)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one V(1)O5 trigonal bipyramid,  an edgeedge with one Y(2)O6 octahedra,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 30-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to one Mg(1), one Y(1), one Y(2), and one V(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Y(1), one Y(2), and one V(1) atom to form distorted OY2MgV trigonal pyramids that share corners with three equivalent O(2)Y2MgV trigonal pyramids, corners with four equivalent O(3)Y2V2 trigonal pyramids, and  an edgeedge with one O(3)Y2V2 trigonal pyramid. In the third O site, O(3) is bonded to one Y(1), one Y(2), and two equivalent V(1) atoms to form OY2V2 trigonal pyramids that share corners with four equivalent O(2)Y2MgV trigonal pyramids,  an edgeedge with one O(2)Y2MgV trigonal pyramid, and edges with two equivalent O(3)Y2V2 trigonal pyramids. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2MgV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.935
_cell_length_b   5.935
_cell_length_c   5.478
_cell_angle_alpha   83.041
_cell_angle_beta   96.959
_cell_angle_gamma   66.048
_symmetry_Int_Tables_number   1
_cell_volume   171.899
_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
  Y  Y0  1  0.315  0.315  0.500  1.0
  Y  Y1  1  0.668  0.668  0.500  1.0
  Mg  Mg2  1  0.789  0.789  0.000  1.0
  V  V3  1  0.260  0.741  0.885  1.0
  V  V4  1  0.741  0.260  0.115  1.0
  O  O5  1  0.033  0.606  0.729  1.0
  O  O6  1  0.451  0.928  0.748  1.0
  O  O7  1  0.434  0.549  0.228  1.0
  O  O8  1  0.549  0.434  0.772  1.0
  O  O9  1  0.986  0.986  1.000  1.0
  O  O10  1  0.606  0.033  0.271  1.0
  O  O11  1  0.928  0.451  0.252  1.0
[/CIF]
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The structure described by MgY2V2O7 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO5 trigonal bipyramids that share corners with two equivalent V(1)O5 trigonal bipyramids, edges with two equivalent Y(2)O6 octahedra, and edges with two equivalent V(1)O5 trigonal bipyramids. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Y site, Y(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted YO6 octahedra that share corners with four equivalent V(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent V(1)O5 trigonal bipyramids. V(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form VO5 trigonal bipyramids that share corners with two equivalent Y(2)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one V(1)O5 trigonal bipyramid,  an edgeedge with one Y(2)O6 octahedra,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 30-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to one Mg(1), one Y(1), one Y(2), and one V(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Y(1), one Y(2), and one V(1) atom to form distorted OY2MgV trigonal pyramids that share corners with three equivalent O(2)Y2MgV trigonal pyramids, corners with four equivalent O(3)Y2V2 trigonal pyramids, and  an edgeedge with one O(3)Y2V2 trigonal pyramid. In the third O site, O(3) is bonded to one Y(1), one Y(2), and two equivalent V(1) atoms to form OY2V2 trigonal pyramids that share corners with four equivalent O(2)Y2MgV trigonal pyramids,  an edgeedge with one O(2)Y2MgV trigonal pyramid, and edges with two equivalent O(3)Y2V2 trigonal pyramids. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2MgV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.935
_cell_length_b   5.935
_cell_length_c   5.478
_cell_angle_alpha   83.041
_cell_angle_beta   96.959
_cell_angle_gamma   66.048
_symmetry_Int_Tables_number   1
_cell_volume   171.899
_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
  Y  Y0  1  0.315  0.315  0.500  1.0
  Y  Y1  1  0.668  0.668  0.500  1.0
  Mg  Mg2  1  0.789  0.789  0.000  1.0
  V  V3  1  0.260  0.741  0.885  1.0
  V  V4  1  0.741  0.260  0.115  1.0
  O  O5  1  0.033  0.606  0.729  1.0
  O  O6  1  0.451  0.928  0.748  1.0
  O  O7  1  0.434  0.549  0.228  1.0
  O  O8  1  0.549  0.434  0.772  1.0
  O  O9  1  0.986  0.986  1.000  1.0
  O  O10  1  0.606  0.033  0.271  1.0
  O  O11  1  0.928  0.451  0.252  1.0
[/CIF]
.