The material described by K3Lu(PO4)2 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(1), one O(6), two equivalent O(3), two equivalent O(4), and three equivalent O(2) atoms. In the third K site, K(3) is bonded in a 9-coordinate geometry to one O(2), one O(5), two equivalent O(3), two equivalent O(4), and three equivalent O(6) atoms. Lu(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms 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(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-44°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-18°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(2), one Lu(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(3), three equivalent K(2), and one P(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(3), one Lu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one K(2), one K(3), one Lu(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one K(3), two equivalent K(1), one Lu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one K(1), one K(2), three equivalent K(3), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Lu(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.648
_cell_length_b   7.785
_cell_length_c   9.455
_cell_angle_alpha   88.058
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   415.487
_cell_formula_units_Z   2
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  0.250  0.223  0.923  1.0
  K  K1  1  0.750  0.777  0.077  1.0
  K  K2  1  0.250  0.686  0.577  1.0
  K  K3  1  0.750  0.314  0.423  1.0
  K  K4  1  0.250  0.500  0.207  1.0
  K  K5  1  0.750  0.500  0.793  1.0
  Lu  Lu6  1  0.250  0.976  0.266  1.0
  Lu  Lu7  1  0.750  0.024  0.734  1.0
  P  P8  1  0.250  0.216  0.572  1.0
  P  P9  1  0.750  0.784  0.428  1.0
  P  P10  1  0.750  0.225  0.098  1.0
  P  P11  1  0.250  0.775  0.902  1.0
  O  O12  1  0.250  0.051  0.483  1.0
  O  O13  1  0.750  0.949  0.517  1.0
  O  O14  1  0.250  0.375  0.472  1.0
  O  O15  1  0.750  0.625  0.528  1.0
  O  O16  1  0.025  0.215  0.670  1.0
  O  O17  1  0.525  0.785  0.330  1.0
  O  O18  1  0.975  0.785  0.330  1.0
  O  O19  1  0.475  0.215  0.670  1.0
  O  O20  1  0.976  0.153  0.176  1.0
  O  O21  1  0.476  0.847  0.824  1.0
  O  O22  1  0.024  0.847  0.824  1.0
  O  O23  1  0.524  0.153  0.176  1.0
  O  O24  1  0.750  0.162  0.943  1.0
  O  O25  1  0.250  0.838  0.057  1.0
  O  O26  1  0.750  0.422  0.101  1.0
  O  O27  1  0.250  0.578  0.899  1.0
[/CIF]
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The material described by K3Lu(PO4)2 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(1), one O(6), two equivalent O(3), two equivalent O(4), and three equivalent O(2) atoms. In the third K site, K(3) is bonded in a 9-coordinate geometry to one O(2), one O(5), two equivalent O(3), two equivalent O(4), and three equivalent O(6) atoms. Lu(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms 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(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-44°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-18°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(2), one Lu(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(3), three equivalent K(2), and one P(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(3), one Lu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one K(2), one K(3), one Lu(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one K(3), two equivalent K(1), one Lu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one K(1), one K(2), three equivalent K(3), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Lu(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.648
_cell_length_b   7.785
_cell_length_c   9.455
_cell_angle_alpha   88.058
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   415.487
_cell_formula_units_Z   2
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  0.250  0.223  0.923  1.0
  K  K1  1  0.750  0.777  0.077  1.0
  K  K2  1  0.250  0.686  0.577  1.0
  K  K3  1  0.750  0.314  0.423  1.0
  K  K4  1  0.250  0.500  0.207  1.0
  K  K5  1  0.750  0.500  0.793  1.0
  Lu  Lu6  1  0.250  0.976  0.266  1.0
  Lu  Lu7  1  0.750  0.024  0.734  1.0
  P  P8  1  0.250  0.216  0.572  1.0
  P  P9  1  0.750  0.784  0.428  1.0
  P  P10  1  0.750  0.225  0.098  1.0
  P  P11  1  0.250  0.775  0.902  1.0
  O  O12  1  0.250  0.051  0.483  1.0
  O  O13  1  0.750  0.949  0.517  1.0
  O  O14  1  0.250  0.375  0.472  1.0
  O  O15  1  0.750  0.625  0.528  1.0
  O  O16  1  0.025  0.215  0.670  1.0
  O  O17  1  0.525  0.785  0.330  1.0
  O  O18  1  0.975  0.785  0.330  1.0
  O  O19  1  0.475  0.215  0.670  1.0
  O  O20  1  0.976  0.153  0.176  1.0
  O  O21  1  0.476  0.847  0.824  1.0
  O  O22  1  0.024  0.847  0.824  1.0
  O  O23  1  0.524  0.153  0.176  1.0
  O  O24  1  0.750  0.162  0.943  1.0
  O  O25  1  0.250  0.838  0.057  1.0
  O  O26  1  0.750  0.422  0.101  1.0
  O  O27  1  0.250  0.578  0.899  1.0
[/CIF]
.