The compound described by TlInAs2O7 crystallizes in the triclinic P-1 space group. The structure consists of two 7440-28-0 atoms inside a TlIn2(As2O7)2 framework. In the TlIn2(As2O7)2 framework, Tl(1) is bonded in a 2-coordinate geometry to one O(1) and one O(13) atom. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(13), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form InO6 octahedra that share  a cornercorner with one As(1)O4 tetrahedra,  a cornercorner with one As(4)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and corners with two equivalent As(3)O4 tetrahedra. In the second In site, In(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(6) atom to form InO6 octahedra that share  a cornercorner with one As(2)O4 tetrahedra,  a cornercorner with one As(3)O4 tetrahedra, corners with two equivalent As(1)O4 tetrahedra, and corners with two equivalent As(4)O4 tetrahedra. There are four inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(12), one O(13), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra, corners with two equivalent In(2)O6 octahedra, and  a cornercorner with one As(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-56°. In the second As site, As(2) is bonded to one O(14), one O(3), one O(5), and one O(9) atom to form AsO4 tetrahedra that share  a cornercorner with one In(2)O6 octahedra, corners with two equivalent In(1)O6 octahedra, and  a cornercorner with one As(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-59°. In the third As site, As(3) is bonded to one O(10), one O(14), one O(4), and one O(8) atom to form AsO4 tetrahedra that share  a cornercorner with one In(2)O6 octahedra, corners with two equivalent In(1)O6 octahedra, and  a cornercorner with one As(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the fourth As site, As(4) is bonded to one O(11), one O(2), one O(6), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra, corners with two equivalent In(2)O6 octahedra, and  a cornercorner with one As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-55°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Tl(1), one In(2), and one As(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one In(1) and one As(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one In(2) and one As(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one In(1) and one As(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one In(1) and one As(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one In(2) and one As(4) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one As(1) and one As(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one In(1) and one As(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one In(1) and one As(2) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one In(2) and one As(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one In(2) and one As(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one In(2) and one As(1) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Tl(1), one In(1), and one As(1) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one As(2) and one As(3) atom. is represented by the CIF card [CIF]
data_TlInAs2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.975
_cell_length_b   8.809
_cell_length_c   10.705
_cell_angle_alpha   91.254
_cell_angle_beta   89.991
_cell_angle_gamma   105.690
_symmetry_Int_Tables_number   1
_cell_volume   723.785
_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
  Tl  Tl0  1  0.318  0.942  0.184  1.0
  Tl  Tl1  1  0.682  0.058  0.816  1.0
  Tl  Tl2  1  0.654  0.538  0.681  1.0
  Tl  Tl3  1  0.346  0.462  0.319  1.0
  In  In4  1  0.738  0.261  0.404  1.0
  In  In5  1  0.262  0.739  0.596  1.0
  In  In6  1  0.737  0.769  0.102  1.0
  In  In7  1  0.263  0.231  0.898  1.0
  As  As8  1  0.629  0.331  0.100  1.0
  As  As9  1  0.067  0.327  0.642  1.0
  As  As10  1  0.371  0.669  0.900  1.0
  As  As11  1  0.933  0.673  0.358  1.0
  As  As12  1  0.344  0.149  0.573  1.0
  As  As13  1  0.050  0.798  0.868  1.0
  As  As14  1  0.656  0.851  0.427  1.0
  As  As15  1  0.950  0.202  0.132  1.0
  O  O16  1  0.489  0.780  0.020  1.0
  O  O17  1  0.044  0.769  0.709  1.0
  O  O18  1  0.958  0.747  0.211  1.0
  O  O19  1  0.492  0.286  0.489  1.0
  O  O20  1  0.127  0.661  0.416  1.0
  O  O21  1  0.170  0.975  0.927  1.0
  O  O22  1  0.148  0.655  0.936  1.0
  O  O23  1  0.508  0.714  0.511  1.0
  O  O24  1  0.311  0.964  0.513  1.0
  O  O25  1  0.766  0.507  0.370  1.0
  O  O26  1  0.042  0.253  0.789  1.0
  O  O27  1  0.956  0.231  0.291  1.0
  O  O28  1  0.689  0.036  0.487  1.0
  O  O29  1  0.873  0.339  0.584  1.0
  O  O30  1  0.603  0.822  0.272  1.0
  O  O31  1  0.161  0.259  0.082  1.0
  O  O32  1  0.830  0.025  0.073  1.0
  O  O33  1  0.395  0.485  0.883  1.0
  O  O34  1  0.605  0.515  0.117  1.0
  O  O35  1  0.839  0.741  0.918  1.0
  O  O36  1  0.397  0.178  0.728  1.0
  O  O37  1  0.577  0.222  0.232  1.0
  O  O38  1  0.511  0.220  0.980  1.0
  O  O39  1  0.864  0.814  0.455  1.0
  O  O40  1  0.423  0.778  0.768  1.0
  O  O41  1  0.136  0.186  0.545  1.0
  O  O42  1  0.852  0.345  0.064  1.0
  O  O43  1  0.234  0.493  0.630  1.0
[/CIF]
.
The compound described by TlInAs2O7 crystallizes in the triclinic P-1 space group. The structure consists of two 7440-28-0 atoms inside a TlIn2(As2O7)2 framework. In the TlIn2(As2O7)2 framework, Tl(1) is bonded in a 2-coordinate geometry to one O(1) and one O(13) atom. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(13), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form InO6 octahedra that share  a cornercorner with one As(1)O4 tetrahedra,  a cornercorner with one As(4)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and corners with two equivalent As(3)O4 tetrahedra. In the second In site, In(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(6) atom to form InO6 octahedra that share  a cornercorner with one As(2)O4 tetrahedra,  a cornercorner with one As(3)O4 tetrahedra, corners with two equivalent As(1)O4 tetrahedra, and corners with two equivalent As(4)O4 tetrahedra. There are four inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(12), one O(13), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra, corners with two equivalent In(2)O6 octahedra, and  a cornercorner with one As(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-56°. In the second As site, As(2) is bonded to one O(14), one O(3), one O(5), and one O(9) atom to form AsO4 tetrahedra that share  a cornercorner with one In(2)O6 octahedra, corners with two equivalent In(1)O6 octahedra, and  a cornercorner with one As(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-59°. In the third As site, As(3) is bonded to one O(10), one O(14), one O(4), and one O(8) atom to form AsO4 tetrahedra that share  a cornercorner with one In(2)O6 octahedra, corners with two equivalent In(1)O6 octahedra, and  a cornercorner with one As(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the fourth As site, As(4) is bonded to one O(11), one O(2), one O(6), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra, corners with two equivalent In(2)O6 octahedra, and  a cornercorner with one As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-55°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Tl(1), one In(2), and one As(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one In(1) and one As(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one In(2) and one As(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one In(1) and one As(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one In(1) and one As(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one In(2) and one As(4) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one As(1) and one As(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one In(1) and one As(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one In(1) and one As(2) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one In(2) and one As(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one In(2) and one As(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one In(2) and one As(1) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Tl(1), one In(1), and one As(1) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one As(2) and one As(3) atom. is represented by the CIF card [CIF]
data_TlInAs2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.975
_cell_length_b   8.809
_cell_length_c   10.705
_cell_angle_alpha   91.254
_cell_angle_beta   89.991
_cell_angle_gamma   105.690
_symmetry_Int_Tables_number   1
_cell_volume   723.785
_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
  Tl  Tl0  1  0.318  0.942  0.184  1.0
  Tl  Tl1  1  0.682  0.058  0.816  1.0
  Tl  Tl2  1  0.654  0.538  0.681  1.0
  Tl  Tl3  1  0.346  0.462  0.319  1.0
  In  In4  1  0.738  0.261  0.404  1.0
  In  In5  1  0.262  0.739  0.596  1.0
  In  In6  1  0.737  0.769  0.102  1.0
  In  In7  1  0.263  0.231  0.898  1.0
  As  As8  1  0.629  0.331  0.100  1.0
  As  As9  1  0.067  0.327  0.642  1.0
  As  As10  1  0.371  0.669  0.900  1.0
  As  As11  1  0.933  0.673  0.358  1.0
  As  As12  1  0.344  0.149  0.573  1.0
  As  As13  1  0.050  0.798  0.868  1.0
  As  As14  1  0.656  0.851  0.427  1.0
  As  As15  1  0.950  0.202  0.132  1.0
  O  O16  1  0.489  0.780  0.020  1.0
  O  O17  1  0.044  0.769  0.709  1.0
  O  O18  1  0.958  0.747  0.211  1.0
  O  O19  1  0.492  0.286  0.489  1.0
  O  O20  1  0.127  0.661  0.416  1.0
  O  O21  1  0.170  0.975  0.927  1.0
  O  O22  1  0.148  0.655  0.936  1.0
  O  O23  1  0.508  0.714  0.511  1.0
  O  O24  1  0.311  0.964  0.513  1.0
  O  O25  1  0.766  0.507  0.370  1.0
  O  O26  1  0.042  0.253  0.789  1.0
  O  O27  1  0.956  0.231  0.291  1.0
  O  O28  1  0.689  0.036  0.487  1.0
  O  O29  1  0.873  0.339  0.584  1.0
  O  O30  1  0.603  0.822  0.272  1.0
  O  O31  1  0.161  0.259  0.082  1.0
  O  O32  1  0.830  0.025  0.073  1.0
  O  O33  1  0.395  0.485  0.883  1.0
  O  O34  1  0.605  0.515  0.117  1.0
  O  O35  1  0.839  0.741  0.918  1.0
  O  O36  1  0.397  0.178  0.728  1.0
  O  O37  1  0.577  0.222  0.232  1.0
  O  O38  1  0.511  0.220  0.980  1.0
  O  O39  1  0.864  0.814  0.455  1.0
  O  O40  1  0.423  0.778  0.768  1.0
  O  O41  1  0.136  0.186  0.545  1.0
  O  O42  1  0.852  0.345  0.064  1.0
  O  O43  1  0.234  0.493  0.630  1.0
[/CIF]
.