The structure described by MgNb2In2O8 crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share edges with two equivalent Nb(1)O6 octahedra and edges with two equivalent Nb(2)O6 octahedra. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted NbO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra and edges with two equivalent Nb(2)O6 octahedra. In the second Nb site, Nb(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form NbO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra and edges with two equivalent Nb(1)O6 octahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second In site, In(2) is bonded in a distorted see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Nb(2), and one In(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Nb(1), one In(1), and one In(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Nb(1), one Nb(2), and one In(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Nb(1), one Nb(2), and one In(1) atom. is represented by the CIF card [CIF]
data_MgNb2In2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.553
_cell_length_b   5.328
_cell_length_c   6.273
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.703
_symmetry_Int_Tables_number   1
_cell_volume   185.517
_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  0.000  0.750  0.626  1.0
  Nb  Nb1  1  0.000  0.750  0.169  1.0
  Nb  Nb2  1  0.000  0.250  0.848  1.0
  In  In3  1  0.500  0.750  0.689  1.0
  In  In4  1  0.500  0.250  0.308  1.0
  O  O5  1  0.224  0.444  0.663  1.0
  O  O6  1  0.776  0.056  0.663  1.0
  O  O7  1  0.772  0.646  0.380  1.0
  O  O8  1  0.228  0.854  0.380  1.0
  O  O9  1  0.161  0.438  0.095  1.0
  O  O10  1  0.839  0.062  0.095  1.0
  O  O11  1  0.788  0.569  0.860  1.0
  O  O12  1  0.212  0.931  0.860  1.0
[/CIF]
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The structure described by MgNb2In2O8 crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share edges with two equivalent Nb(1)O6 octahedra and edges with two equivalent Nb(2)O6 octahedra. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted NbO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra and edges with two equivalent Nb(2)O6 octahedra. In the second Nb site, Nb(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form NbO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra and edges with two equivalent Nb(1)O6 octahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second In site, In(2) is bonded in a distorted see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Nb(2), and one In(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Nb(1), one In(1), and one In(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Nb(1), one Nb(2), and one In(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Nb(1), one Nb(2), and one In(1) atom. is represented by the CIF card [CIF]
data_MgNb2In2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.553
_cell_length_b   5.328
_cell_length_c   6.273
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.703
_symmetry_Int_Tables_number   1
_cell_volume   185.517
_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  0.000  0.750  0.626  1.0
  Nb  Nb1  1  0.000  0.750  0.169  1.0
  Nb  Nb2  1  0.000  0.250  0.848  1.0
  In  In3  1  0.500  0.750  0.689  1.0
  In  In4  1  0.500  0.250  0.308  1.0
  O  O5  1  0.224  0.444  0.663  1.0
  O  O6  1  0.776  0.056  0.663  1.0
  O  O7  1  0.772  0.646  0.380  1.0
  O  O8  1  0.228  0.854  0.380  1.0
  O  O9  1  0.161  0.438  0.095  1.0
  O  O10  1  0.839  0.062  0.095  1.0
  O  O11  1  0.788  0.569  0.860  1.0
  O  O12  1  0.212  0.931  0.860  1.0
[/CIF]
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