The material described by KGd(PO3)4 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. Gd(1) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(3), one O(5), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(1), one O(10), one O(3), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(2), one O(4), and one O(6) atom to form corner-sharing PO4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one Gd(1), and one P(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), one Gd(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(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 Gd(1), and one P(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one Gd(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(1), one Gd(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one K(1), one Gd(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one K(1), one Gd(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one K(1), one Gd(1), and one P(1) atom. is represented by the CIF file [CIF]
data_KGd(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.526
_cell_length_b   7.359
_cell_length_c   7.998
_cell_angle_alpha   88.449
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   501.601
_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  0.438  0.268  0.279  1.0
  K  K1  1  0.938  0.732  0.721  1.0
  Gd  Gd2  1  0.750  0.237  0.759  1.0
  Gd  Gd3  1  0.250  0.763  0.241  1.0
  P  P4  1  0.876  0.564  0.098  1.0
  P  P5  1  0.376  0.436  0.902  1.0
  P  P6  1  0.501  0.615  0.597  1.0
  P  P7  1  0.674  0.902  0.103  1.0
  P  P8  1  0.174  0.098  0.897  1.0
  P  P9  1  0.903  0.004  0.384  1.0
  P  P10  1  0.001  0.385  0.403  1.0
  P  P11  1  0.403  0.996  0.616  1.0
  O  O12  1  0.206  0.027  0.072  1.0
  O  O13  1  0.515  0.823  0.654  1.0
  O  O14  1  0.725  0.692  0.120  1.0
  O  O15  1  0.225  0.308  0.880  1.0
  O  O16  1  0.006  0.838  0.385  1.0
  O  O17  1  0.015  0.177  0.346  1.0
  O  O18  1  0.365  0.539  0.722  1.0
  O  O19  1  0.706  0.973  0.928  1.0
  O  O20  1  0.806  0.033  0.537  1.0
  O  O21  1  0.512  0.914  0.174  1.0
  O  O22  1  0.441  0.609  0.421  1.0
  O  O23  1  0.306  0.967  0.463  1.0
  O  O24  1  0.843  0.432  0.963  1.0
  O  O25  1  0.506  0.162  0.615  1.0
  O  O26  1  0.294  0.987  0.780  1.0
  O  O27  1  0.154  0.475  0.359  1.0
  O  O28  1  0.022  0.676  0.075  1.0
  O  O29  1  0.012  0.086  0.826  1.0
  O  O30  1  0.343  0.568  0.037  1.0
  O  O31  1  0.654  0.525  0.641  1.0
  O  O32  1  0.941  0.391  0.579  1.0
  O  O33  1  0.865  0.461  0.278  1.0
  O  O34  1  0.794  0.013  0.220  1.0
  O  O35  1  0.522  0.324  0.925  1.0
[/CIF]
.
The material described by KGd(PO3)4 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. Gd(1) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(3), one O(5), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(1), one O(10), one O(3), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(2), one O(4), and one O(6) atom to form corner-sharing PO4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one Gd(1), and one P(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), one Gd(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(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 Gd(1), and one P(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one Gd(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(1), one Gd(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one K(1), one Gd(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one K(1), one Gd(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one K(1), one Gd(1), and one P(1) atom. is represented by the CIF file [CIF]
data_KGd(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.526
_cell_length_b   7.359
_cell_length_c   7.998
_cell_angle_alpha   88.449
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   501.601
_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  0.438  0.268  0.279  1.0
  K  K1  1  0.938  0.732  0.721  1.0
  Gd  Gd2  1  0.750  0.237  0.759  1.0
  Gd  Gd3  1  0.250  0.763  0.241  1.0
  P  P4  1  0.876  0.564  0.098  1.0
  P  P5  1  0.376  0.436  0.902  1.0
  P  P6  1  0.501  0.615  0.597  1.0
  P  P7  1  0.674  0.902  0.103  1.0
  P  P8  1  0.174  0.098  0.897  1.0
  P  P9  1  0.903  0.004  0.384  1.0
  P  P10  1  0.001  0.385  0.403  1.0
  P  P11  1  0.403  0.996  0.616  1.0
  O  O12  1  0.206  0.027  0.072  1.0
  O  O13  1  0.515  0.823  0.654  1.0
  O  O14  1  0.725  0.692  0.120  1.0
  O  O15  1  0.225  0.308  0.880  1.0
  O  O16  1  0.006  0.838  0.385  1.0
  O  O17  1  0.015  0.177  0.346  1.0
  O  O18  1  0.365  0.539  0.722  1.0
  O  O19  1  0.706  0.973  0.928  1.0
  O  O20  1  0.806  0.033  0.537  1.0
  O  O21  1  0.512  0.914  0.174  1.0
  O  O22  1  0.441  0.609  0.421  1.0
  O  O23  1  0.306  0.967  0.463  1.0
  O  O24  1  0.843  0.432  0.963  1.0
  O  O25  1  0.506  0.162  0.615  1.0
  O  O26  1  0.294  0.987  0.780  1.0
  O  O27  1  0.154  0.475  0.359  1.0
  O  O28  1  0.022  0.676  0.075  1.0
  O  O29  1  0.012  0.086  0.826  1.0
  O  O30  1  0.343  0.568  0.037  1.0
  O  O31  1  0.654  0.525  0.641  1.0
  O  O32  1  0.941  0.391  0.579  1.0
  O  O33  1  0.865  0.461  0.278  1.0
  O  O34  1  0.794  0.013  0.220  1.0
  O  O35  1  0.522  0.324  0.925  1.0
[/CIF]
.