The structure described by BaNd2In2O7 crystallizes in the tetragonal P4_2/mnm space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(5), four equivalent O(1), and four equivalent O(3) atoms. Nd(1) is bonded in a 7-coordinate geometry to one O(4), one O(5), two equivalent O(3), and three equivalent O(2) atoms. In(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 13-38°. There are five inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), and two equivalent In(1) atoms. In the second O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent In(1) atoms. In the third O site, O(5) is bonded to two equivalent Ba(1), two equivalent Nd(1), and two equivalent In(1) atoms to form edge-sharing OBa2Nd2In2 octahedra. In the fourth O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1) and two equivalent In(1) atoms. In the fifth O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nd(1) and one In(1) atom. is represented by the CIF card [CIF]
data_BaNd2In2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.979
_cell_length_b   5.979
_cell_length_c   20.785
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   743.122
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.238  0.762  0.500  1.0
  Ba  Ba1  1  0.762  0.238  0.500  1.0
  Ba  Ba2  1  0.262  0.262  0.000  1.0
  Ba  Ba3  1  0.738  0.738  0.000  1.0
  Nd  Nd4  1  0.220  0.780  0.314  1.0
  Nd  Nd5  1  0.780  0.220  0.314  1.0
  Nd  Nd6  1  0.280  0.280  0.814  1.0
  Nd  Nd7  1  0.720  0.720  0.814  1.0
  Nd  Nd8  1  0.780  0.220  0.686  1.0
  Nd  Nd9  1  0.220  0.780  0.686  1.0
  Nd  Nd10  1  0.720  0.720  0.186  1.0
  Nd  Nd11  1  0.280  0.280  0.186  1.0
  In  In12  1  0.241  0.759  0.104  1.0
  In  In13  1  0.759  0.241  0.104  1.0
  In  In14  1  0.259  0.259  0.604  1.0
  In  In15  1  0.741  0.741  0.604  1.0
  In  In16  1  0.759  0.241  0.896  1.0
  In  In17  1  0.241  0.759  0.896  1.0
  In  In18  1  0.741  0.741  0.396  1.0
  In  In19  1  0.259  0.259  0.396  1.0
  O  O20  1  0.295  0.295  0.500  1.0
  O  O21  1  0.705  0.705  0.500  1.0
  O  O22  1  0.205  0.795  0.000  1.0
  O  O23  1  0.795  0.205  0.000  1.0
  O  O24  1  0.322  0.678  0.212  1.0
  O  O25  1  0.678  0.322  0.212  1.0
  O  O26  1  0.178  0.178  0.712  1.0
  O  O27  1  0.822  0.822  0.712  1.0
  O  O28  1  0.678  0.322  0.788  1.0
  O  O29  1  0.322  0.678  0.788  1.0
  O  O30  1  0.822  0.822  0.288  1.0
  O  O31  1  0.178  0.178  0.288  1.0
  O  O32  1  0.000  0.500  0.380  1.0
  O  O33  1  0.500  0.000  0.880  1.0
  O  O34  1  0.000  0.500  0.620  1.0
  O  O35  1  0.500  0.000  0.120  1.0
  O  O36  1  0.500  0.000  0.380  1.0
  O  O37  1  0.000  0.500  0.880  1.0
  O  O38  1  0.500  0.000  0.620  1.0
  O  O39  1  0.000  0.500  0.120  1.0
  O  O40  1  0.500  0.500  0.363  1.0
  O  O41  1  0.000  0.000  0.863  1.0
  O  O42  1  0.500  0.500  0.637  1.0
  O  O43  1  0.000  0.000  0.137  1.0
  O  O44  1  0.500  0.500  0.092  1.0
  O  O45  1  0.000  0.000  0.592  1.0
  O  O46  1  0.500  0.500  0.908  1.0
  O  O47  1  0.000  0.000  0.408  1.0
[/CIF]
.
The structure described by BaNd2In2O7 crystallizes in the tetragonal P4_2/mnm space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(5), four equivalent O(1), and four equivalent O(3) atoms. Nd(1) is bonded in a 7-coordinate geometry to one O(4), one O(5), two equivalent O(3), and three equivalent O(2) atoms. In(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 13-38°. There are five inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), and two equivalent In(1) atoms. In the second O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent In(1) atoms. In the third O site, O(5) is bonded to two equivalent Ba(1), two equivalent Nd(1), and two equivalent In(1) atoms to form edge-sharing OBa2Nd2In2 octahedra. In the fourth O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1) and two equivalent In(1) atoms. In the fifth O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nd(1) and one In(1) atom. is represented by the CIF card [CIF]
data_BaNd2In2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.979
_cell_length_b   5.979
_cell_length_c   20.785
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   743.122
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.238  0.762  0.500  1.0
  Ba  Ba1  1  0.762  0.238  0.500  1.0
  Ba  Ba2  1  0.262  0.262  0.000  1.0
  Ba  Ba3  1  0.738  0.738  0.000  1.0
  Nd  Nd4  1  0.220  0.780  0.314  1.0
  Nd  Nd5  1  0.780  0.220  0.314  1.0
  Nd  Nd6  1  0.280  0.280  0.814  1.0
  Nd  Nd7  1  0.720  0.720  0.814  1.0
  Nd  Nd8  1  0.780  0.220  0.686  1.0
  Nd  Nd9  1  0.220  0.780  0.686  1.0
  Nd  Nd10  1  0.720  0.720  0.186  1.0
  Nd  Nd11  1  0.280  0.280  0.186  1.0
  In  In12  1  0.241  0.759  0.104  1.0
  In  In13  1  0.759  0.241  0.104  1.0
  In  In14  1  0.259  0.259  0.604  1.0
  In  In15  1  0.741  0.741  0.604  1.0
  In  In16  1  0.759  0.241  0.896  1.0
  In  In17  1  0.241  0.759  0.896  1.0
  In  In18  1  0.741  0.741  0.396  1.0
  In  In19  1  0.259  0.259  0.396  1.0
  O  O20  1  0.295  0.295  0.500  1.0
  O  O21  1  0.705  0.705  0.500  1.0
  O  O22  1  0.205  0.795  0.000  1.0
  O  O23  1  0.795  0.205  0.000  1.0
  O  O24  1  0.322  0.678  0.212  1.0
  O  O25  1  0.678  0.322  0.212  1.0
  O  O26  1  0.178  0.178  0.712  1.0
  O  O27  1  0.822  0.822  0.712  1.0
  O  O28  1  0.678  0.322  0.788  1.0
  O  O29  1  0.322  0.678  0.788  1.0
  O  O30  1  0.822  0.822  0.288  1.0
  O  O31  1  0.178  0.178  0.288  1.0
  O  O32  1  0.000  0.500  0.380  1.0
  O  O33  1  0.500  0.000  0.880  1.0
  O  O34  1  0.000  0.500  0.620  1.0
  O  O35  1  0.500  0.000  0.120  1.0
  O  O36  1  0.500  0.000  0.380  1.0
  O  O37  1  0.000  0.500  0.880  1.0
  O  O38  1  0.500  0.000  0.620  1.0
  O  O39  1  0.000  0.500  0.120  1.0
  O  O40  1  0.500  0.500  0.363  1.0
  O  O41  1  0.000  0.000  0.863  1.0
  O  O42  1  0.500  0.500  0.637  1.0
  O  O43  1  0.000  0.000  0.137  1.0
  O  O44  1  0.500  0.500  0.092  1.0
  O  O45  1  0.000  0.000  0.592  1.0
  O  O46  1  0.500  0.500  0.908  1.0
  O  O47  1  0.000  0.000  0.408  1.0
[/CIF]
.