The material described by LiEr(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Er(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(3), one O(4), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form corner-sharing PO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Er(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Li(1), one Er(1), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Er(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) 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 bent 150 degrees geometry to one Er(1) and one P(1) atom. is represented by the CIF file [CIF]
data_LiEr(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.015
_cell_length_b   9.015
_cell_length_c   9.726
_cell_angle_alpha   57.781
_cell_angle_beta   57.781
_cell_angle_gamma   47.035
_symmetry_Int_Tables_number   1
_cell_volume   470.516
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Er  Er2  1  0.235  0.765  0.250  1.0
  Er  Er3  1  0.765  0.235  0.750  1.0
  P  P4  1  0.317  0.413  0.656  1.0
  P  P5  1  0.009  0.692  0.091  1.0
  P  P6  1  0.308  0.991  0.409  1.0
  P  P7  1  0.587  0.683  0.844  1.0
  P  P8  1  0.692  0.009  0.591  1.0
  P  P9  1  0.683  0.587  0.344  1.0
  P  P10  1  0.413  0.317  0.156  1.0
  P  P11  1  0.991  0.308  0.909  1.0
  O  O12  1  0.761  0.007  0.705  1.0
  O  O13  1  0.152  0.008  0.580  1.0
  O  O14  1  0.008  0.152  0.080  1.0
  O  O15  1  0.606  0.186  0.037  1.0
  O  O16  1  0.348  0.171  0.331  1.0
  O  O17  1  0.218  0.461  0.078  1.0
  O  O18  1  0.582  0.555  0.794  1.0
  O  O19  1  0.992  0.848  0.920  1.0
  O  O20  1  0.394  0.814  0.963  1.0
  O  O21  1  0.239  0.993  0.295  1.0
  O  O22  1  0.652  0.829  0.669  1.0
  O  O23  1  0.814  0.394  0.463  1.0
  O  O24  1  0.418  0.445  0.206  1.0
  O  O25  1  0.186  0.606  0.537  1.0
  O  O26  1  0.993  0.239  0.795  1.0
  O  O27  1  0.782  0.539  0.922  1.0
  O  O28  1  0.555  0.582  0.294  1.0
  O  O29  1  0.171  0.348  0.831  1.0
  O  O30  1  0.445  0.418  0.706  1.0
  O  O31  1  0.848  0.992  0.420  1.0
  O  O32  1  0.539  0.782  0.422  1.0
  O  O33  1  0.461  0.218  0.578  1.0
  O  O34  1  0.829  0.652  0.169  1.0
  O  O35  1  0.007  0.761  0.205  1.0
[/CIF]
.
The material described by LiEr(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Er(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(3), one O(4), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form corner-sharing PO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Er(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Li(1), one Er(1), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Er(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) 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 bent 150 degrees geometry to one Er(1) and one P(1) atom. is represented by the CIF file [CIF]
data_LiEr(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.015
_cell_length_b   9.015
_cell_length_c   9.726
_cell_angle_alpha   57.781
_cell_angle_beta   57.781
_cell_angle_gamma   47.035
_symmetry_Int_Tables_number   1
_cell_volume   470.516
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Er  Er2  1  0.235  0.765  0.250  1.0
  Er  Er3  1  0.765  0.235  0.750  1.0
  P  P4  1  0.317  0.413  0.656  1.0
  P  P5  1  0.009  0.692  0.091  1.0
  P  P6  1  0.308  0.991  0.409  1.0
  P  P7  1  0.587  0.683  0.844  1.0
  P  P8  1  0.692  0.009  0.591  1.0
  P  P9  1  0.683  0.587  0.344  1.0
  P  P10  1  0.413  0.317  0.156  1.0
  P  P11  1  0.991  0.308  0.909  1.0
  O  O12  1  0.761  0.007  0.705  1.0
  O  O13  1  0.152  0.008  0.580  1.0
  O  O14  1  0.008  0.152  0.080  1.0
  O  O15  1  0.606  0.186  0.037  1.0
  O  O16  1  0.348  0.171  0.331  1.0
  O  O17  1  0.218  0.461  0.078  1.0
  O  O18  1  0.582  0.555  0.794  1.0
  O  O19  1  0.992  0.848  0.920  1.0
  O  O20  1  0.394  0.814  0.963  1.0
  O  O21  1  0.239  0.993  0.295  1.0
  O  O22  1  0.652  0.829  0.669  1.0
  O  O23  1  0.814  0.394  0.463  1.0
  O  O24  1  0.418  0.445  0.206  1.0
  O  O25  1  0.186  0.606  0.537  1.0
  O  O26  1  0.993  0.239  0.795  1.0
  O  O27  1  0.782  0.539  0.922  1.0
  O  O28  1  0.555  0.582  0.294  1.0
  O  O29  1  0.171  0.348  0.831  1.0
  O  O30  1  0.445  0.418  0.706  1.0
  O  O31  1  0.848  0.992  0.420  1.0
  O  O32  1  0.539  0.782  0.422  1.0
  O  O33  1  0.461  0.218  0.578  1.0
  O  O34  1  0.829  0.652  0.169  1.0
  O  O35  1  0.007  0.761  0.205  1.0
[/CIF]
.