The material described by KGd(PO3)4 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. 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(5) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 150 degrees geometry to one K(1), one P(1), and one P(2) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one K(1), one Gd(1), and one P(2) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Gd(1), and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Gd(1) and one P(2) atom. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Gd(1) and one P(1) atom. is represented by the CIF card [CIF]
data_KGd(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.450
_cell_length_b   7.450
_cell_length_c   10.637
_cell_angle_alpha   79.069
_cell_angle_beta   79.069
_cell_angle_gamma   115.368
_symmetry_Int_Tables_number   1
_cell_volume   498.828
_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  0.816  0.184  0.750  1.0
  K  K1  1  0.184  0.816  0.250  1.0
  Gd  Gd2  1  0.880  0.120  0.250  1.0
  Gd  Gd3  1  0.120  0.880  0.750  1.0
  P  P4  1  0.744  0.696  0.557  1.0
  P  P5  1  0.256  0.304  0.443  1.0
  P  P6  1  0.374  0.713  0.502  1.0
  P  P7  1  0.713  0.374  0.002  1.0
  P  P8  1  0.304  0.256  0.943  1.0
  P  P9  1  0.626  0.287  0.498  1.0
  P  P10  1  0.696  0.744  0.057  1.0
  P  P11  1  0.287  0.626  0.998  1.0
  O  O12  1  0.137  0.161  0.585  1.0
  O  O13  1  0.161  0.137  0.085  1.0
  O  O14  1  0.809  0.300  0.399  1.0
  O  O15  1  0.501  0.643  0.588  1.0
  O  O16  1  0.754  0.814  0.172  1.0
  O  O17  1  0.191  0.700  0.601  1.0
  O  O18  1  0.357  0.499  0.912  1.0
  O  O19  1  0.186  0.246  0.328  1.0
  O  O20  1  0.276  0.530  0.434  1.0
  O  O21  1  0.246  0.186  0.828  1.0
  O  O22  1  0.300  0.809  0.899  1.0
  O  O23  1  0.470  0.724  0.066  1.0
  O  O24  1  0.530  0.276  0.934  1.0
  O  O25  1  0.814  0.754  0.672  1.0
  O  O26  1  0.863  0.839  0.415  1.0
  O  O27  1  0.700  0.191  0.101  1.0
  O  O28  1  0.489  0.091  0.614  1.0
  O  O29  1  0.511  0.909  0.386  1.0
  O  O30  1  0.724  0.470  0.566  1.0
  O  O31  1  0.091  0.489  0.114  1.0
  O  O32  1  0.839  0.863  0.915  1.0
  O  O33  1  0.643  0.501  0.088  1.0
  O  O34  1  0.499  0.357  0.412  1.0
  O  O35  1  0.909  0.511  0.886  1.0
[/CIF]
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The material described by KGd(PO3)4 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. 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(5) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 150 degrees geometry to one K(1), one P(1), and one P(2) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one K(1), one Gd(1), and one P(2) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Gd(1), and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Gd(1) and one P(2) atom. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Gd(1) and one P(1) atom. is represented by the CIF card [CIF]
data_KGd(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.450
_cell_length_b   7.450
_cell_length_c   10.637
_cell_angle_alpha   79.069
_cell_angle_beta   79.069
_cell_angle_gamma   115.368
_symmetry_Int_Tables_number   1
_cell_volume   498.828
_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  0.816  0.184  0.750  1.0
  K  K1  1  0.184  0.816  0.250  1.0
  Gd  Gd2  1  0.880  0.120  0.250  1.0
  Gd  Gd3  1  0.120  0.880  0.750  1.0
  P  P4  1  0.744  0.696  0.557  1.0
  P  P5  1  0.256  0.304  0.443  1.0
  P  P6  1  0.374  0.713  0.502  1.0
  P  P7  1  0.713  0.374  0.002  1.0
  P  P8  1  0.304  0.256  0.943  1.0
  P  P9  1  0.626  0.287  0.498  1.0
  P  P10  1  0.696  0.744  0.057  1.0
  P  P11  1  0.287  0.626  0.998  1.0
  O  O12  1  0.137  0.161  0.585  1.0
  O  O13  1  0.161  0.137  0.085  1.0
  O  O14  1  0.809  0.300  0.399  1.0
  O  O15  1  0.501  0.643  0.588  1.0
  O  O16  1  0.754  0.814  0.172  1.0
  O  O17  1  0.191  0.700  0.601  1.0
  O  O18  1  0.357  0.499  0.912  1.0
  O  O19  1  0.186  0.246  0.328  1.0
  O  O20  1  0.276  0.530  0.434  1.0
  O  O21  1  0.246  0.186  0.828  1.0
  O  O22  1  0.300  0.809  0.899  1.0
  O  O23  1  0.470  0.724  0.066  1.0
  O  O24  1  0.530  0.276  0.934  1.0
  O  O25  1  0.814  0.754  0.672  1.0
  O  O26  1  0.863  0.839  0.415  1.0
  O  O27  1  0.700  0.191  0.101  1.0
  O  O28  1  0.489  0.091  0.614  1.0
  O  O29  1  0.511  0.909  0.386  1.0
  O  O30  1  0.724  0.470  0.566  1.0
  O  O31  1  0.091  0.489  0.114  1.0
  O  O32  1  0.839  0.863  0.915  1.0
  O  O33  1  0.643  0.501  0.088  1.0
  O  O34  1  0.499  0.357  0.412  1.0
  O  O35  1  0.909  0.511  0.886  1.0
[/CIF]
.