The compound described by CsTbP2O7 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 10-coordinate geometry to one O(3), one O(4), one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(7) atoms. Tb(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 TbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Tb(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-48°. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Tb(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-45°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted linear geometry to one Cs(1), one Tb(1), and one P(2) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one Cs(1), one P(1), and one P(2) atom. In the third O site, O(7) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Tb(1), and one P(2) atom. In the fourth O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Tb(1), and one P(1) atom. In the fifth O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Tb(1), and one P(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Cs(1), one Tb(1), and one P(1) atom. In the seventh O site, O(4) is bonded in a distorted linear geometry to one Cs(1), one Tb(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsTbP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.007
_cell_length_b   8.925
_cell_length_c   11.117
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.993
_symmetry_Int_Tables_number   1
_cell_volume   767.373
_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
  Cs  Cs0  1  0.812  0.944  0.315  1.0
  Cs  Cs1  1  0.188  0.056  0.685  1.0
  Cs  Cs2  1  0.188  0.556  0.815  1.0
  Cs  Cs3  1  0.812  0.444  0.185  1.0
  Tb  Tb4  1  0.762  0.743  0.901  1.0
  Tb  Tb5  1  0.238  0.257  0.099  1.0
  Tb  Tb6  1  0.238  0.757  0.401  1.0
  Tb  Tb7  1  0.762  0.243  0.599  1.0
  P  P8  1  0.570  0.811  0.632  1.0
  P  P9  1  0.430  0.189  0.368  1.0
  P  P10  1  0.430  0.689  0.132  1.0
  P  P11  1  0.570  0.311  0.868  1.0
  P  P12  1  0.866  0.675  0.598  1.0
  P  P13  1  0.134  0.325  0.402  1.0
  P  P14  1  0.134  0.825  0.098  1.0
  P  P15  1  0.866  0.175  0.902  1.0
  O  O16  1  0.392  0.768  0.573  1.0
  O  O17  1  0.608  0.232  0.427  1.0
  O  O18  1  0.608  0.732  0.073  1.0
  O  O19  1  0.392  0.268  0.927  1.0
  O  O20  1  0.913  0.738  0.725  1.0
  O  O21  1  0.087  0.262  0.275  1.0
  O  O22  1  0.087  0.762  0.225  1.0
  O  O23  1  0.913  0.238  0.775  1.0
  O  O24  1  0.558  0.765  0.765  1.0
  O  O25  1  0.442  0.235  0.235  1.0
  O  O26  1  0.442  0.735  0.265  1.0
  O  O27  1  0.558  0.265  0.735  1.0
  O  O28  1  0.671  0.978  0.607  1.0
  O  O29  1  0.329  0.022  0.393  1.0
  O  O30  1  0.329  0.522  0.107  1.0
  O  O31  1  0.671  0.478  0.893  1.0
  O  O32  1  0.847  0.001  0.911  1.0
  O  O33  1  0.153  0.999  0.089  1.0
  O  O34  1  0.153  0.499  0.411  1.0
  O  O35  1  0.847  0.501  0.589  1.0
  O  O36  1  0.677  0.701  0.564  1.0
  O  O37  1  0.323  0.299  0.436  1.0
  O  O38  1  0.323  0.799  0.064  1.0
  O  O39  1  0.677  0.201  0.936  1.0
  O  O40  1  0.007  0.732  0.004  1.0
  O  O41  1  0.993  0.268  0.996  1.0
  O  O42  1  0.993  0.768  0.504  1.0
  O  O43  1  0.007  0.232  0.496  1.0
[/CIF]
.
The compound described by CsTbP2O7 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 10-coordinate geometry to one O(3), one O(4), one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(7) atoms. Tb(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 TbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Tb(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-48°. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Tb(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-45°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted linear geometry to one Cs(1), one Tb(1), and one P(2) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one Cs(1), one P(1), and one P(2) atom. In the third O site, O(7) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Tb(1), and one P(2) atom. In the fourth O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Tb(1), and one P(1) atom. In the fifth O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Tb(1), and one P(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Cs(1), one Tb(1), and one P(1) atom. In the seventh O site, O(4) is bonded in a distorted linear geometry to one Cs(1), one Tb(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsTbP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.007
_cell_length_b   8.925
_cell_length_c   11.117
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.993
_symmetry_Int_Tables_number   1
_cell_volume   767.373
_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
  Cs  Cs0  1  0.812  0.944  0.315  1.0
  Cs  Cs1  1  0.188  0.056  0.685  1.0
  Cs  Cs2  1  0.188  0.556  0.815  1.0
  Cs  Cs3  1  0.812  0.444  0.185  1.0
  Tb  Tb4  1  0.762  0.743  0.901  1.0
  Tb  Tb5  1  0.238  0.257  0.099  1.0
  Tb  Tb6  1  0.238  0.757  0.401  1.0
  Tb  Tb7  1  0.762  0.243  0.599  1.0
  P  P8  1  0.570  0.811  0.632  1.0
  P  P9  1  0.430  0.189  0.368  1.0
  P  P10  1  0.430  0.689  0.132  1.0
  P  P11  1  0.570  0.311  0.868  1.0
  P  P12  1  0.866  0.675  0.598  1.0
  P  P13  1  0.134  0.325  0.402  1.0
  P  P14  1  0.134  0.825  0.098  1.0
  P  P15  1  0.866  0.175  0.902  1.0
  O  O16  1  0.392  0.768  0.573  1.0
  O  O17  1  0.608  0.232  0.427  1.0
  O  O18  1  0.608  0.732  0.073  1.0
  O  O19  1  0.392  0.268  0.927  1.0
  O  O20  1  0.913  0.738  0.725  1.0
  O  O21  1  0.087  0.262  0.275  1.0
  O  O22  1  0.087  0.762  0.225  1.0
  O  O23  1  0.913  0.238  0.775  1.0
  O  O24  1  0.558  0.765  0.765  1.0
  O  O25  1  0.442  0.235  0.235  1.0
  O  O26  1  0.442  0.735  0.265  1.0
  O  O27  1  0.558  0.265  0.735  1.0
  O  O28  1  0.671  0.978  0.607  1.0
  O  O29  1  0.329  0.022  0.393  1.0
  O  O30  1  0.329  0.522  0.107  1.0
  O  O31  1  0.671  0.478  0.893  1.0
  O  O32  1  0.847  0.001  0.911  1.0
  O  O33  1  0.153  0.999  0.089  1.0
  O  O34  1  0.153  0.499  0.411  1.0
  O  O35  1  0.847  0.501  0.589  1.0
  O  O36  1  0.677  0.701  0.564  1.0
  O  O37  1  0.323  0.299  0.436  1.0
  O  O38  1  0.323  0.799  0.064  1.0
  O  O39  1  0.677  0.201  0.936  1.0
  O  O40  1  0.007  0.732  0.004  1.0
  O  O41  1  0.993  0.268  0.996  1.0
  O  O42  1  0.993  0.768  0.504  1.0
  O  O43  1  0.007  0.232  0.496  1.0
[/CIF]
.