The material described by MgDy2V2O7 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 Dy(1)O6 octahedra, and edges with two equivalent V(1)O5 trigonal bipyramids. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted DyO6 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. In the second Dy site, Dy(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. 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 Dy(1)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one V(1)O5 trigonal bipyramid,  an edgeedge with one Dy(1)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 to one Mg(1), one Dy(1), one Dy(2), and one V(1) atom to form distorted ODy2MgV trigonal pyramids that share corners with three equivalent O(1)Dy2MgV trigonal pyramids, corners with four equivalent O(3)Dy2V2 trigonal pyramids, and  an edgeedge with one O(3)Dy2V2 trigonal pyramid. In the second O site, O(2) is bonded in a distorted square co-planar geometry to one Mg(1), one Dy(1), one Dy(2), and one V(1) atom. In the third O site, O(3) is bonded to one Dy(1), one Dy(2), and two equivalent V(1) atoms to form ODy2V2 trigonal pyramids that share corners with four equivalent O(1)Dy2MgV trigonal pyramids,  an edgeedge with one O(1)Dy2MgV trigonal pyramid, and edges with two equivalent O(3)Dy2V2 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 CIF card [CIF]
data_Dy2MgV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.927
_cell_length_b   5.927
_cell_length_c   5.470
_cell_angle_alpha   83.021
_cell_angle_beta   96.979
_cell_angle_gamma   66.025
_symmetry_Int_Tables_number   1
_cell_volume   171.196
_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
  Dy  Dy0  1  0.331  0.331  0.500  1.0
  Dy  Dy1  1  0.685  0.685  0.500  1.0
  Mg  Mg2  1  0.211  0.211  0.000  1.0
  V  V3  1  0.259  0.740  0.885  1.0
  V  V4  1  0.740  0.259  0.115  1.0
  O  O5  1  0.071  0.549  0.747  1.0
  O  O6  1  0.395  0.967  0.728  1.0
  O  O7  1  0.451  0.566  0.228  1.0
  O  O8  1  0.566  0.451  0.772  1.0
  O  O9  1  0.014  0.014  0.000  1.0
  O  O10  1  0.549  0.071  0.253  1.0
  O  O11  1  0.967  0.395  0.272  1.0
[/CIF]
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The material described by MgDy2V2O7 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 Dy(1)O6 octahedra, and edges with two equivalent V(1)O5 trigonal bipyramids. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted DyO6 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. In the second Dy site, Dy(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. 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 Dy(1)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one V(1)O5 trigonal bipyramid,  an edgeedge with one Dy(1)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 to one Mg(1), one Dy(1), one Dy(2), and one V(1) atom to form distorted ODy2MgV trigonal pyramids that share corners with three equivalent O(1)Dy2MgV trigonal pyramids, corners with four equivalent O(3)Dy2V2 trigonal pyramids, and  an edgeedge with one O(3)Dy2V2 trigonal pyramid. In the second O site, O(2) is bonded in a distorted square co-planar geometry to one Mg(1), one Dy(1), one Dy(2), and one V(1) atom. In the third O site, O(3) is bonded to one Dy(1), one Dy(2), and two equivalent V(1) atoms to form ODy2V2 trigonal pyramids that share corners with four equivalent O(1)Dy2MgV trigonal pyramids,  an edgeedge with one O(1)Dy2MgV trigonal pyramid, and edges with two equivalent O(3)Dy2V2 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 CIF card [CIF]
data_Dy2MgV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.927
_cell_length_b   5.927
_cell_length_c   5.470
_cell_angle_alpha   83.021
_cell_angle_beta   96.979
_cell_angle_gamma   66.025
_symmetry_Int_Tables_number   1
_cell_volume   171.196
_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
  Dy  Dy0  1  0.331  0.331  0.500  1.0
  Dy  Dy1  1  0.685  0.685  0.500  1.0
  Mg  Mg2  1  0.211  0.211  0.000  1.0
  V  V3  1  0.259  0.740  0.885  1.0
  V  V4  1  0.740  0.259  0.115  1.0
  O  O5  1  0.071  0.549  0.747  1.0
  O  O6  1  0.395  0.967  0.728  1.0
  O  O7  1  0.451  0.566  0.228  1.0
  O  O8  1  0.566  0.451  0.772  1.0
  O  O9  1  0.014  0.014  0.000  1.0
  O  O10  1  0.549  0.071  0.253  1.0
  O  O11  1  0.967  0.395  0.272  1.0
[/CIF]
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