The material structure described by KLuP2O7 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(3), and two equivalent O(7) atoms. Lu(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form LuO6 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(7) atom to form PO4 tetrahedra that share corners with three equivalent Lu(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-49°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Lu(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-52°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Lu(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Lu(1) and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Lu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one K(1), one Lu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one Lu(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent K(1), one Lu(1), and one P(1) atom. is represented by the CIF card [CIF]
data_KLuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.837
_cell_length_b   7.636
_cell_length_c   8.618
_cell_angle_alpha   73.162
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   682.541
_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
  K  K0  1  0.178  0.820  0.566  1.0
  K  K1  1  0.822  0.180  0.434  1.0
  K  K2  1  0.322  0.820  0.066  1.0
  K  K3  1  0.678  0.180  0.934  1.0
  Lu  Lu4  1  0.403  0.233  0.248  1.0
  Lu  Lu5  1  0.597  0.767  0.752  1.0
  Lu  Lu6  1  0.903  0.767  0.252  1.0
  Lu  Lu7  1  0.097  0.233  0.748  1.0
  P  P8  1  0.399  0.131  0.685  1.0
  P  P9  1  0.899  0.869  0.815  1.0
  P  P10  1  0.101  0.131  0.185  1.0
  P  P11  1  0.601  0.869  0.315  1.0
  P  P12  1  0.358  0.445  0.810  1.0
  P  P13  1  0.642  0.555  0.190  1.0
  P  P14  1  0.142  0.445  0.310  1.0
  P  P15  1  0.858  0.555  0.690  1.0
  O  O16  1  0.096  0.139  0.008  1.0
  O  O17  1  0.887  0.663  0.516  1.0
  O  O18  1  0.501  0.010  0.786  1.0
  O  O19  1  0.927  0.663  0.805  1.0
  O  O20  1  0.416  0.636  0.760  1.0
  O  O21  1  0.999  0.010  0.286  1.0
  O  O22  1  0.499  0.990  0.214  1.0
  O  O23  1  0.279  0.456  0.266  1.0
  O  O24  1  0.904  0.861  0.992  1.0
  O  O25  1  0.001  0.990  0.714  1.0
  O  O26  1  0.387  0.337  0.984  1.0
  O  O27  1  0.084  0.636  0.260  1.0
  O  O28  1  0.779  0.544  0.234  1.0
  O  O29  1  0.404  0.139  0.508  1.0
  O  O30  1  0.229  0.073  0.260  1.0
  O  O31  1  0.271  0.073  0.760  1.0
  O  O32  1  0.584  0.364  0.240  1.0
  O  O33  1  0.613  0.663  0.016  1.0
  O  O34  1  0.113  0.337  0.484  1.0
  O  O35  1  0.427  0.337  0.695  1.0
  O  O36  1  0.916  0.364  0.740  1.0
  O  O37  1  0.596  0.861  0.492  1.0
  O  O38  1  0.573  0.663  0.305  1.0
  O  O39  1  0.721  0.544  0.734  1.0
  O  O40  1  0.073  0.337  0.195  1.0
  O  O41  1  0.729  0.927  0.240  1.0
  O  O42  1  0.771  0.927  0.740  1.0
  O  O43  1  0.221  0.456  0.766  1.0
[/CIF]
.
The material structure described by KLuP2O7 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(3), and two equivalent O(7) atoms. Lu(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form LuO6 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(7) atom to form PO4 tetrahedra that share corners with three equivalent Lu(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-49°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Lu(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-52°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Lu(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Lu(1) and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Lu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one K(1), one Lu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one Lu(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent K(1), one Lu(1), and one P(1) atom. is represented by the CIF card [CIF]
data_KLuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.837
_cell_length_b   7.636
_cell_length_c   8.618
_cell_angle_alpha   73.162
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   682.541
_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
  K  K0  1  0.178  0.820  0.566  1.0
  K  K1  1  0.822  0.180  0.434  1.0
  K  K2  1  0.322  0.820  0.066  1.0
  K  K3  1  0.678  0.180  0.934  1.0
  Lu  Lu4  1  0.403  0.233  0.248  1.0
  Lu  Lu5  1  0.597  0.767  0.752  1.0
  Lu  Lu6  1  0.903  0.767  0.252  1.0
  Lu  Lu7  1  0.097  0.233  0.748  1.0
  P  P8  1  0.399  0.131  0.685  1.0
  P  P9  1  0.899  0.869  0.815  1.0
  P  P10  1  0.101  0.131  0.185  1.0
  P  P11  1  0.601  0.869  0.315  1.0
  P  P12  1  0.358  0.445  0.810  1.0
  P  P13  1  0.642  0.555  0.190  1.0
  P  P14  1  0.142  0.445  0.310  1.0
  P  P15  1  0.858  0.555  0.690  1.0
  O  O16  1  0.096  0.139  0.008  1.0
  O  O17  1  0.887  0.663  0.516  1.0
  O  O18  1  0.501  0.010  0.786  1.0
  O  O19  1  0.927  0.663  0.805  1.0
  O  O20  1  0.416  0.636  0.760  1.0
  O  O21  1  0.999  0.010  0.286  1.0
  O  O22  1  0.499  0.990  0.214  1.0
  O  O23  1  0.279  0.456  0.266  1.0
  O  O24  1  0.904  0.861  0.992  1.0
  O  O25  1  0.001  0.990  0.714  1.0
  O  O26  1  0.387  0.337  0.984  1.0
  O  O27  1  0.084  0.636  0.260  1.0
  O  O28  1  0.779  0.544  0.234  1.0
  O  O29  1  0.404  0.139  0.508  1.0
  O  O30  1  0.229  0.073  0.260  1.0
  O  O31  1  0.271  0.073  0.760  1.0
  O  O32  1  0.584  0.364  0.240  1.0
  O  O33  1  0.613  0.663  0.016  1.0
  O  O34  1  0.113  0.337  0.484  1.0
  O  O35  1  0.427  0.337  0.695  1.0
  O  O36  1  0.916  0.364  0.740  1.0
  O  O37  1  0.596  0.861  0.492  1.0
  O  O38  1  0.573  0.663  0.305  1.0
  O  O39  1  0.721  0.544  0.734  1.0
  O  O40  1  0.073  0.337  0.195  1.0
  O  O41  1  0.729  0.927  0.240  1.0
  O  O42  1  0.771  0.927  0.740  1.0
  O  O43  1  0.221  0.456  0.766  1.0
[/CIF]
.