The compound described by LiGd(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(2) 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(3), 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(2), 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(3), one O(4), 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(3) is bonded in a distorted bent 150 degrees geometry to one Gd(1) and one P(2) atom. In the second O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Gd(1), and one P(2) atom. In the fifth O site, O(1) is bonded in a 2-coordinate geometry to one Gd(1) and one P(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Gd(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiGd(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.017
_cell_length_b   9.017
_cell_length_c   9.793
_cell_angle_alpha   57.161
_cell_angle_beta   57.161
_cell_angle_gamma   46.755
_symmetry_Int_Tables_number   1
_cell_volume   467.953
_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
  Li  Li0  1  0.205  0.795  0.750  1.0
  Li  Li1  1  0.795  0.205  0.250  1.0
  Gd  Gd2  1  0.703  0.297  0.750  1.0
  Gd  Gd3  1  0.297  0.703  0.250  1.0
  P  P4  1  0.799  0.493  0.305  1.0
  P  P5  1  0.507  0.201  0.195  1.0
  P  P6  1  0.201  0.507  0.695  1.0
  P  P7  1  0.493  0.799  0.805  1.0
  P  P8  1  0.809  0.915  0.615  1.0
  P  P9  1  0.085  0.191  0.885  1.0
  P  P10  1  0.191  0.085  0.385  1.0
  P  P11  1  0.915  0.809  0.115  1.0
  O  O12  1  0.742  0.510  0.473  1.0
  O  O13  1  0.490  0.258  0.027  1.0
  O  O14  1  0.258  0.490  0.527  1.0
  O  O15  1  0.510  0.742  0.973  1.0
  O  O16  1  0.661  0.485  0.271  1.0
  O  O17  1  0.515  0.339  0.229  1.0
  O  O18  1  0.339  0.515  0.729  1.0
  O  O19  1  0.485  0.661  0.771  1.0
  O  O20  1  0.101  0.675  0.183  1.0
  O  O21  1  0.325  0.899  0.317  1.0
  O  O22  1  0.899  0.325  0.817  1.0
  O  O23  1  0.675  0.101  0.683  1.0
  O  O24  1  0.281  0.033  0.768  1.0
  O  O25  1  0.967  0.719  0.732  1.0
  O  O26  1  0.719  0.967  0.232  1.0
  O  O27  1  0.033  0.281  0.268  1.0
  O  O28  1  0.837  0.673  0.151  1.0
  O  O29  1  0.327  0.163  0.349  1.0
  O  O30  1  0.163  0.327  0.849  1.0
  O  O31  1  0.673  0.837  0.651  1.0
  O  O32  1  0.061  0.073  0.070  1.0
  O  O33  1  0.927  0.939  0.430  1.0
  O  O34  1  0.939  0.927  0.930  1.0
  O  O35  1  0.073  0.061  0.570  1.0
[/CIF]
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The compound described by LiGd(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(2) 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(3), 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(2), 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(3), one O(4), 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(3) is bonded in a distorted bent 150 degrees geometry to one Gd(1) and one P(2) atom. In the second O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Gd(1), and one P(2) atom. In the fifth O site, O(1) is bonded in a 2-coordinate geometry to one Gd(1) and one P(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Gd(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiGd(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.017
_cell_length_b   9.017
_cell_length_c   9.793
_cell_angle_alpha   57.161
_cell_angle_beta   57.161
_cell_angle_gamma   46.755
_symmetry_Int_Tables_number   1
_cell_volume   467.953
_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
  Li  Li0  1  0.205  0.795  0.750  1.0
  Li  Li1  1  0.795  0.205  0.250  1.0
  Gd  Gd2  1  0.703  0.297  0.750  1.0
  Gd  Gd3  1  0.297  0.703  0.250  1.0
  P  P4  1  0.799  0.493  0.305  1.0
  P  P5  1  0.507  0.201  0.195  1.0
  P  P6  1  0.201  0.507  0.695  1.0
  P  P7  1  0.493  0.799  0.805  1.0
  P  P8  1  0.809  0.915  0.615  1.0
  P  P9  1  0.085  0.191  0.885  1.0
  P  P10  1  0.191  0.085  0.385  1.0
  P  P11  1  0.915  0.809  0.115  1.0
  O  O12  1  0.742  0.510  0.473  1.0
  O  O13  1  0.490  0.258  0.027  1.0
  O  O14  1  0.258  0.490  0.527  1.0
  O  O15  1  0.510  0.742  0.973  1.0
  O  O16  1  0.661  0.485  0.271  1.0
  O  O17  1  0.515  0.339  0.229  1.0
  O  O18  1  0.339  0.515  0.729  1.0
  O  O19  1  0.485  0.661  0.771  1.0
  O  O20  1  0.101  0.675  0.183  1.0
  O  O21  1  0.325  0.899  0.317  1.0
  O  O22  1  0.899  0.325  0.817  1.0
  O  O23  1  0.675  0.101  0.683  1.0
  O  O24  1  0.281  0.033  0.768  1.0
  O  O25  1  0.967  0.719  0.732  1.0
  O  O26  1  0.719  0.967  0.232  1.0
  O  O27  1  0.033  0.281  0.268  1.0
  O  O28  1  0.837  0.673  0.151  1.0
  O  O29  1  0.327  0.163  0.349  1.0
  O  O30  1  0.163  0.327  0.849  1.0
  O  O31  1  0.673  0.837  0.651  1.0
  O  O32  1  0.061  0.073  0.070  1.0
  O  O33  1  0.927  0.939  0.430  1.0
  O  O34  1  0.939  0.927  0.930  1.0
  O  O35  1  0.073  0.061  0.570  1.0
[/CIF]
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