The material described by Er(PO3)3 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(7) atoms to form ErO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Er site, Er(2) is bonded to one O(10), one O(11), two equivalent O(5), and two equivalent O(8) atoms to form ErO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Er(1)O6 octahedra and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-40°. 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 PO4 tetrahedra that share  a cornercorner with one Er(1)O6 octahedra,  a cornercorner with one Er(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-29°. In the third P site, P(3) is bonded to one O(6), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Er(1)O6 octahedra,  a cornercorner with one Er(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-39°. In the fourth P site, P(4) is bonded to one O(10), one O(11), and two equivalent O(9) atoms to form PO4 tetrahedra that share corners with two equivalent Er(2)O6 octahedra and corners with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-41°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Er(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Er(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Er(2) and one P(4) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Er(1) and one P(2) atom. In the sixth O site, O(11) is bonded in a linear geometry to one Er(2) and one P(4) atom. In the seventh O site, O(5) is bonded in a bent 150 degrees geometry to one Er(2) and one P(2) atom. In the eighth O site, O(6) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the ninth O site, O(7) is bonded in a bent 150 degrees geometry to one Er(1) and one P(3) atom. In the tenth O site, O(8) is bonded in a bent 150 degrees geometry to one Er(2) and one P(3) atom. In the eleventh O site, O(9) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.656
_cell_length_b   6.933
_cell_length_c   10.897
_cell_angle_alpha   88.394
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   729.272
_cell_formula_units_Z   4
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
  Er  Er0  1  0.750  0.829  0.464  1.0
  Er  Er1  1  0.750  0.688  0.982  1.0
  Er  Er2  1  0.250  0.312  0.018  1.0
  Er  Er3  1  0.250  0.171  0.536  1.0
  P  P4  1  0.750  0.315  0.373  1.0
  P  P5  1  0.465  0.325  0.284  1.0
  P  P6  1  0.035  0.325  0.284  1.0
  P  P7  1  0.510  0.735  0.233  1.0
  P  P8  1  0.990  0.735  0.233  1.0
  P  P9  1  0.250  0.823  0.103  1.0
  P  P10  1  0.490  0.265  0.767  1.0
  P  P11  1  0.010  0.265  0.767  1.0
  P  P12  1  0.750  0.177  0.897  1.0
  P  P13  1  0.535  0.675  0.716  1.0
  P  P14  1  0.965  0.675  0.716  1.0
  P  P15  1  0.250  0.685  0.627  1.0
  O  O16  1  0.750  0.513  0.423  1.0
  O  O17  1  0.750  0.148  0.462  1.0
  O  O18  1  0.627  0.294  0.277  1.0
  O  O19  1  0.873  0.294  0.277  1.0
  O  O20  1  0.407  0.226  0.395  1.0
  O  O21  1  0.093  0.226  0.395  1.0
  O  O22  1  0.409  0.279  0.162  1.0
  O  O23  1  0.091  0.279  0.162  1.0
  O  O24  1  0.449  0.551  0.306  1.0
  O  O25  1  0.051  0.551  0.306  1.0
  O  O26  1  0.587  0.853  0.321  1.0
  O  O27  1  0.913  0.853  0.321  1.0
  O  O28  1  0.585  0.671  0.122  1.0
  O  O29  1  0.915  0.671  0.122  1.0
  O  O30  1  0.375  0.850  0.196  1.0
  O  O31  1  0.125  0.850  0.196  1.0
  O  O32  1  0.250  0.487  0.577  1.0
  O  O33  1  0.250  0.852  0.538  1.0
  O  O34  1  0.907  0.774  0.605  1.0
  O  O35  1  0.593  0.774  0.605  1.0
  O  O36  1  0.949  0.449  0.694  1.0
  O  O37  1  0.551  0.449  0.694  1.0
  O  O38  1  0.909  0.721  0.838  1.0
  O  O39  1  0.591  0.721  0.838  1.0
  O  O40  1  0.127  0.706  0.723  1.0
  O  O41  1  0.373  0.706  0.723  1.0
  O  O42  1  0.087  0.147  0.679  1.0
  O  O43  1  0.413  0.147  0.679  1.0
  O  O44  1  0.875  0.150  0.804  1.0
  O  O45  1  0.625  0.150  0.804  1.0
  O  O46  1  0.085  0.329  0.878  1.0
  O  O47  1  0.415  0.329  0.878  1.0
  O  O48  1  0.750  0.009  0.985  1.0
  O  O49  1  0.750  0.375  0.945  1.0
  O  O50  1  0.250  0.991  0.015  1.0
  O  O51  1  0.250  0.625  0.055  1.0
[/CIF]
.
The material described by Er(PO3)3 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(7) atoms to form ErO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Er site, Er(2) is bonded to one O(10), one O(11), two equivalent O(5), and two equivalent O(8) atoms to form ErO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Er(1)O6 octahedra and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-40°. 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 PO4 tetrahedra that share  a cornercorner with one Er(1)O6 octahedra,  a cornercorner with one Er(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-29°. In the third P site, P(3) is bonded to one O(6), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Er(1)O6 octahedra,  a cornercorner with one Er(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-39°. In the fourth P site, P(4) is bonded to one O(10), one O(11), and two equivalent O(9) atoms to form PO4 tetrahedra that share corners with two equivalent Er(2)O6 octahedra and corners with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-41°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Er(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Er(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Er(2) and one P(4) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Er(1) and one P(2) atom. In the sixth O site, O(11) is bonded in a linear geometry to one Er(2) and one P(4) atom. In the seventh O site, O(5) is bonded in a bent 150 degrees geometry to one Er(2) and one P(2) atom. In the eighth O site, O(6) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the ninth O site, O(7) is bonded in a bent 150 degrees geometry to one Er(1) and one P(3) atom. In the tenth O site, O(8) is bonded in a bent 150 degrees geometry to one Er(2) and one P(3) atom. In the eleventh O site, O(9) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.656
_cell_length_b   6.933
_cell_length_c   10.897
_cell_angle_alpha   88.394
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   729.272
_cell_formula_units_Z   4
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
  Er  Er0  1  0.750  0.829  0.464  1.0
  Er  Er1  1  0.750  0.688  0.982  1.0
  Er  Er2  1  0.250  0.312  0.018  1.0
  Er  Er3  1  0.250  0.171  0.536  1.0
  P  P4  1  0.750  0.315  0.373  1.0
  P  P5  1  0.465  0.325  0.284  1.0
  P  P6  1  0.035  0.325  0.284  1.0
  P  P7  1  0.510  0.735  0.233  1.0
  P  P8  1  0.990  0.735  0.233  1.0
  P  P9  1  0.250  0.823  0.103  1.0
  P  P10  1  0.490  0.265  0.767  1.0
  P  P11  1  0.010  0.265  0.767  1.0
  P  P12  1  0.750  0.177  0.897  1.0
  P  P13  1  0.535  0.675  0.716  1.0
  P  P14  1  0.965  0.675  0.716  1.0
  P  P15  1  0.250  0.685  0.627  1.0
  O  O16  1  0.750  0.513  0.423  1.0
  O  O17  1  0.750  0.148  0.462  1.0
  O  O18  1  0.627  0.294  0.277  1.0
  O  O19  1  0.873  0.294  0.277  1.0
  O  O20  1  0.407  0.226  0.395  1.0
  O  O21  1  0.093  0.226  0.395  1.0
  O  O22  1  0.409  0.279  0.162  1.0
  O  O23  1  0.091  0.279  0.162  1.0
  O  O24  1  0.449  0.551  0.306  1.0
  O  O25  1  0.051  0.551  0.306  1.0
  O  O26  1  0.587  0.853  0.321  1.0
  O  O27  1  0.913  0.853  0.321  1.0
  O  O28  1  0.585  0.671  0.122  1.0
  O  O29  1  0.915  0.671  0.122  1.0
  O  O30  1  0.375  0.850  0.196  1.0
  O  O31  1  0.125  0.850  0.196  1.0
  O  O32  1  0.250  0.487  0.577  1.0
  O  O33  1  0.250  0.852  0.538  1.0
  O  O34  1  0.907  0.774  0.605  1.0
  O  O35  1  0.593  0.774  0.605  1.0
  O  O36  1  0.949  0.449  0.694  1.0
  O  O37  1  0.551  0.449  0.694  1.0
  O  O38  1  0.909  0.721  0.838  1.0
  O  O39  1  0.591  0.721  0.838  1.0
  O  O40  1  0.127  0.706  0.723  1.0
  O  O41  1  0.373  0.706  0.723  1.0
  O  O42  1  0.087  0.147  0.679  1.0
  O  O43  1  0.413  0.147  0.679  1.0
  O  O44  1  0.875  0.150  0.804  1.0
  O  O45  1  0.625  0.150  0.804  1.0
  O  O46  1  0.085  0.329  0.878  1.0
  O  O47  1  0.415  0.329  0.878  1.0
  O  O48  1  0.750  0.009  0.985  1.0
  O  O49  1  0.750  0.375  0.945  1.0
  O  O50  1  0.250  0.991  0.015  1.0
  O  O51  1  0.250  0.625  0.055  1.0
[/CIF]
.