The crystal structure described by MgLu2V2O8 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted MgO6 octahedra that share corners with two equivalent Lu(1)O7 pentagonal bipyramids, corners with two equivalent V(1)O4 tetrahedra, edges with four equivalent Lu(1)O7 pentagonal bipyramids, and edges with two equivalent V(1)O4 tetrahedra. Lu(1) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LuO7 pentagonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with five equivalent V(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, edges with three equivalent Lu(1)O7 pentagonal bipyramids, and  an edgeedge with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 32°. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with five equivalent Lu(1)O7 pentagonal bipyramids,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Lu(1)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 66°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Lu(1), and one V(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Lu(1) and one V(1) atom. In the third O site, O(3) is bonded to one Mg(1), two equivalent Lu(1), and one V(1) atom to form distorted corner-sharing OLu2MgV trigonal pyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Lu(1), and one V(1) atom. is represented by the CIF card [CIF]
data_Lu2MgV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.860
_cell_length_b   6.192
_cell_length_c   5.860
_cell_angle_alpha   103.860
_cell_angle_beta   107.039
_cell_angle_gamma   115.436
_symmetry_Int_Tables_number   1
_cell_volume   166.315
_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
  Lu  Lu0  1  0.162  0.941  0.307  1.0
  Lu  Lu1  1  0.866  0.059  0.722  1.0
  Mg  Mg2  1  0.746  0.500  0.746  1.0
  V  V3  1  0.345  0.645  0.757  1.0
  V  V4  1  0.613  0.355  0.200  1.0
  O  O5  1  0.837  0.715  0.457  1.0
  O  O6  1  0.382  0.790  0.535  1.0
  O  O7  1  0.740  0.797  0.949  1.0
  O  O8  1  0.765  0.312  0.987  1.0
  O  O9  1  0.653  0.203  0.443  1.0
  O  O10  1  0.242  0.285  0.622  1.0
  O  O11  1  0.176  0.688  0.953  1.0
  O  O12  1  0.245  0.210  0.092  1.0
[/CIF]
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The crystal structure described by MgLu2V2O8 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted MgO6 octahedra that share corners with two equivalent Lu(1)O7 pentagonal bipyramids, corners with two equivalent V(1)O4 tetrahedra, edges with four equivalent Lu(1)O7 pentagonal bipyramids, and edges with two equivalent V(1)O4 tetrahedra. Lu(1) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LuO7 pentagonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with five equivalent V(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, edges with three equivalent Lu(1)O7 pentagonal bipyramids, and  an edgeedge with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 32°. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with five equivalent Lu(1)O7 pentagonal bipyramids,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Lu(1)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 66°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Lu(1), and one V(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Lu(1) and one V(1) atom. In the third O site, O(3) is bonded to one Mg(1), two equivalent Lu(1), and one V(1) atom to form distorted corner-sharing OLu2MgV trigonal pyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Lu(1), and one V(1) atom. is represented by the CIF card [CIF]
data_Lu2MgV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.860
_cell_length_b   6.192
_cell_length_c   5.860
_cell_angle_alpha   103.860
_cell_angle_beta   107.039
_cell_angle_gamma   115.436
_symmetry_Int_Tables_number   1
_cell_volume   166.315
_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
  Lu  Lu0  1  0.162  0.941  0.307  1.0
  Lu  Lu1  1  0.866  0.059  0.722  1.0
  Mg  Mg2  1  0.746  0.500  0.746  1.0
  V  V3  1  0.345  0.645  0.757  1.0
  V  V4  1  0.613  0.355  0.200  1.0
  O  O5  1  0.837  0.715  0.457  1.0
  O  O6  1  0.382  0.790  0.535  1.0
  O  O7  1  0.740  0.797  0.949  1.0
  O  O8  1  0.765  0.312  0.987  1.0
  O  O9  1  0.653  0.203  0.443  1.0
  O  O10  1  0.242  0.285  0.622  1.0
  O  O11  1  0.176  0.688  0.953  1.0
  O  O12  1  0.245  0.210  0.092  1.0
[/CIF]
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