The structure described by LiCsBaP2O7 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(7) atoms. Li(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. Ba(1) is bonded in a 8-coordinate geometry to one O(4), one O(5), one O(6), one O(7), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with two equivalent Li(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Li(1)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Li(1), one Ba(1), and one P(2) atom. In the second O site, O(5) is bonded in a 2-coordinate geometry to one Li(1), one Ba(1), and one P(1) atom. In the third O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Ba(1), and one P(2) atom. In the fourth O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Cs(1), one Ba(1), and one P(2) atom. In the fifth O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one P(1), and one P(2) atom. In the sixth O site, O(2) is bonded in a 2-coordinate geometry to one Li(1), two equivalent Ba(1), and one P(1) atom. In the seventh O site, O(3) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Ba(1), and one P(1) atom. is represented by the CIF file [CIF]
data_CsBaLiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.984
_cell_length_b   7.181
_cell_length_c   10.881
_cell_angle_alpha   74.438
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   826.812
_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  0.328  0.249  0.496  1.0
  Cs  Cs1  1  0.828  0.751  0.004  1.0
  Cs  Cs2  1  0.672  0.751  0.504  1.0
  Cs  Cs3  1  0.172  0.249  0.996  1.0
  Ba  Ba4  1  0.943  0.194  0.623  1.0
  Ba  Ba5  1  0.443  0.806  0.877  1.0
  Ba  Ba6  1  0.057  0.806  0.377  1.0
  Ba  Ba7  1  0.557  0.194  0.123  1.0
  Li  Li8  1  0.759  0.334  0.859  1.0
  Li  Li9  1  0.259  0.666  0.641  1.0
  Li  Li10  1  0.241  0.666  0.141  1.0
  Li  Li11  1  0.741  0.334  0.359  1.0
  P  P12  1  0.985  0.623  0.697  1.0
  P  P13  1  0.485  0.377  0.803  1.0
  P  P14  1  0.015  0.377  0.303  1.0
  P  P15  1  0.515  0.623  0.197  1.0
  P  P16  1  0.636  0.161  0.664  1.0
  P  P17  1  0.136  0.839  0.836  1.0
  P  P18  1  0.364  0.839  0.336  1.0
  P  P19  1  0.864  0.161  0.164  1.0
  O  O20  1  0.546  0.344  0.673  1.0
  O  O21  1  0.046  0.656  0.827  1.0
  O  O22  1  0.454  0.656  0.327  1.0
  O  O23  1  0.954  0.344  0.173  1.0
  O  O24  1  0.086  0.535  0.630  1.0
  O  O25  1  0.586  0.465  0.870  1.0
  O  O26  1  0.914  0.465  0.370  1.0
  O  O27  1  0.414  0.535  0.130  1.0
  O  O28  1  0.942  0.818  0.611  1.0
  O  O29  1  0.442  0.182  0.889  1.0
  O  O30  1  0.058  0.182  0.389  1.0
  O  O31  1  0.558  0.818  0.111  1.0
  O  O32  1  0.721  0.120  0.780  1.0
  O  O33  1  0.221  0.880  0.720  1.0
  O  O34  1  0.279  0.880  0.220  1.0
  O  O35  1  0.779  0.120  0.280  1.0
  O  O36  1  0.881  0.480  0.744  1.0
  O  O37  1  0.381  0.520  0.756  1.0
  O  O38  1  0.119  0.520  0.256  1.0
  O  O39  1  0.619  0.480  0.244  1.0
  O  O40  1  0.706  0.242  0.539  1.0
  O  O41  1  0.206  0.758  0.961  1.0
  O  O42  1  0.294  0.758  0.461  1.0
  O  O43  1  0.794  0.242  0.039  1.0
  O  O44  1  0.551  0.995  0.661  1.0
  O  O45  1  0.051  0.005  0.839  1.0
  O  O46  1  0.449  0.005  0.339  1.0
  O  O47  1  0.949  0.995  0.161  1.0
[/CIF]
.
The structure described by LiCsBaP2O7 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(7) atoms. Li(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. Ba(1) is bonded in a 8-coordinate geometry to one O(4), one O(5), one O(6), one O(7), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with two equivalent Li(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Li(1)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Li(1), one Ba(1), and one P(2) atom. In the second O site, O(5) is bonded in a 2-coordinate geometry to one Li(1), one Ba(1), and one P(1) atom. In the third O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Ba(1), and one P(2) atom. In the fourth O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Cs(1), one Ba(1), and one P(2) atom. In the fifth O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one P(1), and one P(2) atom. In the sixth O site, O(2) is bonded in a 2-coordinate geometry to one Li(1), two equivalent Ba(1), and one P(1) atom. In the seventh O site, O(3) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Ba(1), and one P(1) atom. is represented by the CIF file [CIF]
data_CsBaLiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.984
_cell_length_b   7.181
_cell_length_c   10.881
_cell_angle_alpha   74.438
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   826.812
_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  0.328  0.249  0.496  1.0
  Cs  Cs1  1  0.828  0.751  0.004  1.0
  Cs  Cs2  1  0.672  0.751  0.504  1.0
  Cs  Cs3  1  0.172  0.249  0.996  1.0
  Ba  Ba4  1  0.943  0.194  0.623  1.0
  Ba  Ba5  1  0.443  0.806  0.877  1.0
  Ba  Ba6  1  0.057  0.806  0.377  1.0
  Ba  Ba7  1  0.557  0.194  0.123  1.0
  Li  Li8  1  0.759  0.334  0.859  1.0
  Li  Li9  1  0.259  0.666  0.641  1.0
  Li  Li10  1  0.241  0.666  0.141  1.0
  Li  Li11  1  0.741  0.334  0.359  1.0
  P  P12  1  0.985  0.623  0.697  1.0
  P  P13  1  0.485  0.377  0.803  1.0
  P  P14  1  0.015  0.377  0.303  1.0
  P  P15  1  0.515  0.623  0.197  1.0
  P  P16  1  0.636  0.161  0.664  1.0
  P  P17  1  0.136  0.839  0.836  1.0
  P  P18  1  0.364  0.839  0.336  1.0
  P  P19  1  0.864  0.161  0.164  1.0
  O  O20  1  0.546  0.344  0.673  1.0
  O  O21  1  0.046  0.656  0.827  1.0
  O  O22  1  0.454  0.656  0.327  1.0
  O  O23  1  0.954  0.344  0.173  1.0
  O  O24  1  0.086  0.535  0.630  1.0
  O  O25  1  0.586  0.465  0.870  1.0
  O  O26  1  0.914  0.465  0.370  1.0
  O  O27  1  0.414  0.535  0.130  1.0
  O  O28  1  0.942  0.818  0.611  1.0
  O  O29  1  0.442  0.182  0.889  1.0
  O  O30  1  0.058  0.182  0.389  1.0
  O  O31  1  0.558  0.818  0.111  1.0
  O  O32  1  0.721  0.120  0.780  1.0
  O  O33  1  0.221  0.880  0.720  1.0
  O  O34  1  0.279  0.880  0.220  1.0
  O  O35  1  0.779  0.120  0.280  1.0
  O  O36  1  0.881  0.480  0.744  1.0
  O  O37  1  0.381  0.520  0.756  1.0
  O  O38  1  0.119  0.520  0.256  1.0
  O  O39  1  0.619  0.480  0.244  1.0
  O  O40  1  0.706  0.242  0.539  1.0
  O  O41  1  0.206  0.758  0.961  1.0
  O  O42  1  0.294  0.758  0.461  1.0
  O  O43  1  0.794  0.242  0.039  1.0
  O  O44  1  0.551  0.995  0.661  1.0
  O  O45  1  0.051  0.005  0.839  1.0
  O  O46  1  0.449  0.005  0.339  1.0
  O  O47  1  0.949  0.995  0.161  1.0
[/CIF]
.