The material described by NaInAs2O7 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. In(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form InO6 octahedra that share corners with three equivalent As(1)O4 tetrahedra and corners with three equivalent As(2)O4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form AsO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra and  a cornercorner with one As(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the second As site, As(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form AsO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra and  a cornercorner with one As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-58°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one In(1), and one As(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one In(1), and one As(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Na(1), one In(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(1), one In(1), and one As(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(1), one In(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one As(1) and one As(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one In(1) and one As(1) atom. is represented by the CIF file [CIF]
data_NaInAs2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.760
_cell_length_b   6.760
_cell_length_c   13.955
_cell_angle_alpha   74.674
_cell_angle_beta   74.674
_cell_angle_gamma   80.398
_symmetry_Int_Tables_number   1
_cell_volume   589.905
_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
  Na  Na0  1  0.763  0.041  0.122  1.0
  Na  Na1  1  0.237  0.959  0.878  1.0
  Na  Na2  1  0.959  0.237  0.378  1.0
  Na  Na3  1  0.041  0.763  0.622  1.0
  In  In4  1  0.873  0.404  0.860  1.0
  In  In5  1  0.404  0.873  0.360  1.0
  In  In6  1  0.596  0.127  0.640  1.0
  In  In7  1  0.127  0.596  0.140  1.0
  As  As8  1  0.580  0.666  0.577  1.0
  As  As9  1  0.666  0.580  0.077  1.0
  As  As10  1  0.334  0.420  0.923  1.0
  As  As11  1  0.909  0.753  0.366  1.0
  As  As12  1  0.091  0.247  0.634  1.0
  As  As13  1  0.753  0.909  0.866  1.0
  As  As14  1  0.247  0.091  0.134  1.0
  As  As15  1  0.420  0.334  0.423  1.0
  O  O16  1  0.069  0.883  0.395  1.0
  O  O17  1  0.033  0.575  0.301  1.0
  O  O18  1  0.931  0.117  0.605  1.0
  O  O19  1  0.797  0.387  0.022  1.0
  O  O20  1  0.967  0.425  0.699  1.0
  O  O21  1  0.079  0.270  0.185  1.0
  O  O22  1  0.322  0.190  0.370  1.0
  O  O23  1  0.575  0.033  0.801  1.0
  O  O24  1  0.594  0.789  0.981  1.0
  O  O25  1  0.203  0.613  0.978  1.0
  O  O26  1  0.921  0.730  0.815  1.0
  O  O27  1  0.211  0.406  0.519  1.0
  O  O28  1  0.406  0.211  0.019  1.0
  O  O29  1  0.883  0.069  0.895  1.0
  O  O30  1  0.613  0.203  0.478  1.0
  O  O31  1  0.810  0.678  0.130  1.0
  O  O32  1  0.678  0.810  0.630  1.0
  O  O33  1  0.511  0.439  0.651  1.0
  O  O34  1  0.439  0.511  0.151  1.0
  O  O35  1  0.425  0.967  0.199  1.0
  O  O36  1  0.730  0.921  0.315  1.0
  O  O37  1  0.270  0.079  0.685  1.0
  O  O38  1  0.789  0.594  0.481  1.0
  O  O39  1  0.190  0.322  0.870  1.0
  O  O40  1  0.561  0.489  0.849  1.0
  O  O41  1  0.387  0.797  0.522  1.0
  O  O42  1  0.489  0.561  0.349  1.0
  O  O43  1  0.117  0.931  0.105  1.0
[/CIF]
.
The material described by NaInAs2O7 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. In(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form InO6 octahedra that share corners with three equivalent As(1)O4 tetrahedra and corners with three equivalent As(2)O4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form AsO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra and  a cornercorner with one As(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the second As site, As(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form AsO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra and  a cornercorner with one As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-58°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one In(1), and one As(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one In(1), and one As(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Na(1), one In(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(1), one In(1), and one As(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(1), one In(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one As(1) and one As(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one In(1) and one As(1) atom. is represented by the CIF file [CIF]
data_NaInAs2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.760
_cell_length_b   6.760
_cell_length_c   13.955
_cell_angle_alpha   74.674
_cell_angle_beta   74.674
_cell_angle_gamma   80.398
_symmetry_Int_Tables_number   1
_cell_volume   589.905
_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
  Na  Na0  1  0.763  0.041  0.122  1.0
  Na  Na1  1  0.237  0.959  0.878  1.0
  Na  Na2  1  0.959  0.237  0.378  1.0
  Na  Na3  1  0.041  0.763  0.622  1.0
  In  In4  1  0.873  0.404  0.860  1.0
  In  In5  1  0.404  0.873  0.360  1.0
  In  In6  1  0.596  0.127  0.640  1.0
  In  In7  1  0.127  0.596  0.140  1.0
  As  As8  1  0.580  0.666  0.577  1.0
  As  As9  1  0.666  0.580  0.077  1.0
  As  As10  1  0.334  0.420  0.923  1.0
  As  As11  1  0.909  0.753  0.366  1.0
  As  As12  1  0.091  0.247  0.634  1.0
  As  As13  1  0.753  0.909  0.866  1.0
  As  As14  1  0.247  0.091  0.134  1.0
  As  As15  1  0.420  0.334  0.423  1.0
  O  O16  1  0.069  0.883  0.395  1.0
  O  O17  1  0.033  0.575  0.301  1.0
  O  O18  1  0.931  0.117  0.605  1.0
  O  O19  1  0.797  0.387  0.022  1.0
  O  O20  1  0.967  0.425  0.699  1.0
  O  O21  1  0.079  0.270  0.185  1.0
  O  O22  1  0.322  0.190  0.370  1.0
  O  O23  1  0.575  0.033  0.801  1.0
  O  O24  1  0.594  0.789  0.981  1.0
  O  O25  1  0.203  0.613  0.978  1.0
  O  O26  1  0.921  0.730  0.815  1.0
  O  O27  1  0.211  0.406  0.519  1.0
  O  O28  1  0.406  0.211  0.019  1.0
  O  O29  1  0.883  0.069  0.895  1.0
  O  O30  1  0.613  0.203  0.478  1.0
  O  O31  1  0.810  0.678  0.130  1.0
  O  O32  1  0.678  0.810  0.630  1.0
  O  O33  1  0.511  0.439  0.651  1.0
  O  O34  1  0.439  0.511  0.151  1.0
  O  O35  1  0.425  0.967  0.199  1.0
  O  O36  1  0.730  0.921  0.315  1.0
  O  O37  1  0.270  0.079  0.685  1.0
  O  O38  1  0.789  0.594  0.481  1.0
  O  O39  1  0.190  0.322  0.870  1.0
  O  O40  1  0.561  0.489  0.849  1.0
  O  O41  1  0.387  0.797  0.522  1.0
  O  O42  1  0.489  0.561  0.349  1.0
  O  O43  1  0.117  0.931  0.105  1.0
[/CIF]
.