The crystal structure described by MgNb2In2O8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one In(2), one O(2), one O(3), one O(4), and one O(6) atom to form distorted MgInO4 trigonal pyramids that share corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one Nb(1)O6 pentagonal pyramid,  a cornercorner with one O(5)Nb2In2 tetrahedra,  a cornercorner with one In(1)O5 trigonal bipyramid, and  an edgeedge with one Nb(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 19-50°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted NbO6 pentagonal pyramids that share  a cornercorner with one In(1)O5 trigonal bipyramid,  a cornercorner with one Mg(1)InO4 trigonal pyramid, edges with two equivalent Nb(2)O6 octahedra,  an edgeedge with one In(1)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)InO4 trigonal pyramid. In the second Nb site, Nb(2) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted NbO6 octahedra that share corners with three equivalent In(1)O5 trigonal bipyramids, corners with two equivalent Mg(1)InO4 trigonal pyramids, edges with two equivalent Nb(1)O6 pentagonal pyramids, and  an edgeedge with one In(1)O5 trigonal bipyramid. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(1), one O(2), one O(5), one O(7), and one O(8) atom to form distorted InO5 trigonal bipyramids that share corners with three equivalent Nb(2)O6 octahedra,  a cornercorner with one Nb(1)O6 pentagonal pyramid,  a cornercorner with one Mg(1)InO4 trigonal pyramid,  an edgeedge with one Nb(2)O6 octahedra, and  an edgeedge with one Nb(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 25-59°. In the second In site, In(2) is bonded in a 5-coordinate geometry to one Mg(1), one O(1), one O(3), one O(4), and one O(5) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nb(2), one In(1), and one In(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1), one Nb(2), and one In(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Nb(1), and one In(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Nb(1), and one In(2) atom. In the fifth O site, O(5) is bonded to one Nb(1), one Nb(2), one In(1), and one In(2) atom to form ONb2In2 tetrahedra that share  a cornercorner with one Mg(1)InO4 trigonal pyramid. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Mg(1), one Nb(1), and one Nb(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one In(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Nb(1), one Nb(2), and one In(1) atom. is represented by the CIF file [CIF]
data_MgNb2In2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.336
_cell_length_b   5.388
_cell_length_c   6.754
_cell_angle_alpha   89.350
_cell_angle_beta   93.603
_cell_angle_gamma   99.042
_symmetry_Int_Tables_number   1
_cell_volume   191.396
_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
  Mg  Mg0  1  0.667  0.974  0.367  1.0
  Nb  Nb1  1  0.028  0.743  0.128  1.0
  Nb  Nb2  1  0.977  0.224  0.836  1.0
  In  In3  1  0.460  0.699  0.800  1.0
  In  In4  1  0.412  0.382  0.331  1.0
  O  O5  1  0.188  0.410  0.651  1.0
  O  O6  1  0.713  0.012  0.671  1.0
  O  O7  1  0.795  0.650  0.323  1.0
  O  O8  1  0.310  0.800  0.318  1.0
  O  O9  1  0.236  0.479  0.030  1.0
  O  O10  1  0.869  0.063  0.111  1.0
  O  O11  1  0.782  0.520  0.903  1.0
  O  O12  1  0.201  0.956  0.885  1.0
[/CIF]
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The crystal structure described by MgNb2In2O8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one In(2), one O(2), one O(3), one O(4), and one O(6) atom to form distorted MgInO4 trigonal pyramids that share corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one Nb(1)O6 pentagonal pyramid,  a cornercorner with one O(5)Nb2In2 tetrahedra,  a cornercorner with one In(1)O5 trigonal bipyramid, and  an edgeedge with one Nb(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 19-50°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted NbO6 pentagonal pyramids that share  a cornercorner with one In(1)O5 trigonal bipyramid,  a cornercorner with one Mg(1)InO4 trigonal pyramid, edges with two equivalent Nb(2)O6 octahedra,  an edgeedge with one In(1)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)InO4 trigonal pyramid. In the second Nb site, Nb(2) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted NbO6 octahedra that share corners with three equivalent In(1)O5 trigonal bipyramids, corners with two equivalent Mg(1)InO4 trigonal pyramids, edges with two equivalent Nb(1)O6 pentagonal pyramids, and  an edgeedge with one In(1)O5 trigonal bipyramid. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(1), one O(2), one O(5), one O(7), and one O(8) atom to form distorted InO5 trigonal bipyramids that share corners with three equivalent Nb(2)O6 octahedra,  a cornercorner with one Nb(1)O6 pentagonal pyramid,  a cornercorner with one Mg(1)InO4 trigonal pyramid,  an edgeedge with one Nb(2)O6 octahedra, and  an edgeedge with one Nb(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 25-59°. In the second In site, In(2) is bonded in a 5-coordinate geometry to one Mg(1), one O(1), one O(3), one O(4), and one O(5) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nb(2), one In(1), and one In(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1), one Nb(2), and one In(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Nb(1), and one In(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Nb(1), and one In(2) atom. In the fifth O site, O(5) is bonded to one Nb(1), one Nb(2), one In(1), and one In(2) atom to form ONb2In2 tetrahedra that share  a cornercorner with one Mg(1)InO4 trigonal pyramid. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Mg(1), one Nb(1), and one Nb(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one In(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Nb(1), one Nb(2), and one In(1) atom. is represented by the CIF file [CIF]
data_MgNb2In2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.336
_cell_length_b   5.388
_cell_length_c   6.754
_cell_angle_alpha   89.350
_cell_angle_beta   93.603
_cell_angle_gamma   99.042
_symmetry_Int_Tables_number   1
_cell_volume   191.396
_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
  Mg  Mg0  1  0.667  0.974  0.367  1.0
  Nb  Nb1  1  0.028  0.743  0.128  1.0
  Nb  Nb2  1  0.977  0.224  0.836  1.0
  In  In3  1  0.460  0.699  0.800  1.0
  In  In4  1  0.412  0.382  0.331  1.0
  O  O5  1  0.188  0.410  0.651  1.0
  O  O6  1  0.713  0.012  0.671  1.0
  O  O7  1  0.795  0.650  0.323  1.0
  O  O8  1  0.310  0.800  0.318  1.0
  O  O9  1  0.236  0.479  0.030  1.0
  O  O10  1  0.869  0.063  0.111  1.0
  O  O11  1  0.782  0.520  0.903  1.0
  O  O12  1  0.201  0.956  0.885  1.0
[/CIF]
.