The material described by Gd(PO3)3 crystallizes in the orthorhombic C222_1 space group. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(2) and two equivalent O(5) atoms to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent P(2) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Gd(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Gd(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Gd(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Gd(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.955
_cell_length_b   6.955
_cell_length_c   7.198
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   105.234
_symmetry_Int_Tables_number   1
_cell_volume   336.001
_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
  Gd  Gd0  1  0.124  0.124  0.500  1.0
  Gd  Gd1  1  0.876  0.876  0.000  1.0
  P  P2  1  0.251  0.251  0.000  1.0
  P  P3  1  0.312  0.665  0.457  1.0
  P  P4  1  0.688  0.335  0.957  1.0
  P  P5  1  0.665  0.312  0.543  1.0
  P  P6  1  0.335  0.688  0.043  1.0
  P  P7  1  0.749  0.749  0.500  1.0
  O  O8  1  0.373  0.627  0.250  1.0
  O  O9  1  0.528  0.747  0.546  1.0
  O  O10  1  0.468  0.214  0.461  1.0
  O  O11  1  0.627  0.373  0.750  1.0
  O  O12  1  0.826  0.210  0.534  1.0
  O  O13  1  0.868  0.827  0.671  1.0
  O  O14  1  0.472  0.253  0.046  1.0
  O  O15  1  0.747  0.528  0.454  1.0
  O  O16  1  0.786  0.532  0.039  1.0
  O  O17  1  0.132  0.173  0.171  1.0
  O  O18  1  0.214  0.468  0.539  1.0
  O  O19  1  0.174  0.790  0.034  1.0
  O  O20  1  0.253  0.472  0.954  1.0
  O  O21  1  0.790  0.174  0.966  1.0
  O  O22  1  0.173  0.132  0.829  1.0
  O  O23  1  0.532  0.786  0.961  1.0
  O  O24  1  0.210  0.826  0.466  1.0
  O  O25  1  0.827  0.868  0.329  1.0
[/CIF]
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The material described by Gd(PO3)3 crystallizes in the orthorhombic C222_1 space group. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(2) and two equivalent O(5) atoms to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent P(2) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Gd(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Gd(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Gd(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Gd(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.955
_cell_length_b   6.955
_cell_length_c   7.198
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   105.234
_symmetry_Int_Tables_number   1
_cell_volume   336.001
_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
  Gd  Gd0  1  0.124  0.124  0.500  1.0
  Gd  Gd1  1  0.876  0.876  0.000  1.0
  P  P2  1  0.251  0.251  0.000  1.0
  P  P3  1  0.312  0.665  0.457  1.0
  P  P4  1  0.688  0.335  0.957  1.0
  P  P5  1  0.665  0.312  0.543  1.0
  P  P6  1  0.335  0.688  0.043  1.0
  P  P7  1  0.749  0.749  0.500  1.0
  O  O8  1  0.373  0.627  0.250  1.0
  O  O9  1  0.528  0.747  0.546  1.0
  O  O10  1  0.468  0.214  0.461  1.0
  O  O11  1  0.627  0.373  0.750  1.0
  O  O12  1  0.826  0.210  0.534  1.0
  O  O13  1  0.868  0.827  0.671  1.0
  O  O14  1  0.472  0.253  0.046  1.0
  O  O15  1  0.747  0.528  0.454  1.0
  O  O16  1  0.786  0.532  0.039  1.0
  O  O17  1  0.132  0.173  0.171  1.0
  O  O18  1  0.214  0.468  0.539  1.0
  O  O19  1  0.174  0.790  0.034  1.0
  O  O20  1  0.253  0.472  0.954  1.0
  O  O21  1  0.790  0.174  0.966  1.0
  O  O22  1  0.173  0.132  0.829  1.0
  O  O23  1  0.532  0.786  0.961  1.0
  O  O24  1  0.210  0.826  0.466  1.0
  O  O25  1  0.827  0.868  0.329  1.0
[/CIF]
.