The compound described by LiDyP4O12 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(4) atoms. Dy(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(4) 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(5), and one O(6) 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 Dy(1) and one P(2) atom. In the second O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Dy(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 P(1) and one P(2) atom. In the fifth O site, O(1) is bonded in a 2-coordinate geometry to one Dy(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 Dy(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiDy(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.965
_cell_length_b   8.965
_cell_length_c   9.708
_cell_angle_alpha   57.317
_cell_angle_beta   57.317
_cell_angle_gamma   46.879
_symmetry_Int_Tables_number   1
_cell_volume   460.379
_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  0.793  0.207  0.250  1.0
  Li  Li1  1  0.207  0.793  0.750  1.0
  Dy  Dy2  1  0.296  0.704  0.250  1.0
  Dy  Dy3  1  0.704  0.296  0.750  1.0
  P  P4  1  0.795  0.495  0.307  1.0
  P  P5  1  0.505  0.205  0.193  1.0
  P  P6  1  0.205  0.505  0.693  1.0
  P  P7  1  0.495  0.795  0.807  1.0
  P  P8  1  0.188  0.086  0.384  1.0
  P  P9  1  0.914  0.812  0.116  1.0
  P  P10  1  0.812  0.914  0.616  1.0
  P  P11  1  0.086  0.188  0.884  1.0
  O  O12  1  0.741  0.508  0.477  1.0
  O  O13  1  0.492  0.259  0.023  1.0
  O  O14  1  0.259  0.492  0.523  1.0
  O  O15  1  0.508  0.741  0.977  1.0
  O  O16  1  0.654  0.490  0.273  1.0
  O  O17  1  0.510  0.346  0.227  1.0
  O  O18  1  0.346  0.510  0.727  1.0
  O  O19  1  0.490  0.654  0.773  1.0
  O  O20  1  0.900  0.323  0.816  1.0
  O  O21  1  0.677  0.100  0.684  1.0
  O  O22  1  0.100  0.677  0.184  1.0
  O  O23  1  0.323  0.900  0.316  1.0
  O  O24  1  0.062  0.071  0.071  1.0
  O  O25  1  0.929  0.938  0.429  1.0
  O  O26  1  0.938  0.929  0.929  1.0
  O  O27  1  0.071  0.062  0.571  1.0
  O  O28  1  0.166  0.324  0.847  1.0
  O  O29  1  0.676  0.834  0.653  1.0
  O  O30  1  0.834  0.676  0.153  1.0
  O  O31  1  0.324  0.166  0.347  1.0
  O  O32  1  0.283  0.028  0.768  1.0
  O  O33  1  0.972  0.717  0.732  1.0
  O  O34  1  0.717  0.972  0.232  1.0
  O  O35  1  0.028  0.283  0.268  1.0
[/CIF]
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The compound described by LiDyP4O12 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(4) atoms. Dy(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(4) 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(5), and one O(6) 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 Dy(1) and one P(2) atom. In the second O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Dy(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 P(1) and one P(2) atom. In the fifth O site, O(1) is bonded in a 2-coordinate geometry to one Dy(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 Dy(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiDy(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.965
_cell_length_b   8.965
_cell_length_c   9.708
_cell_angle_alpha   57.317
_cell_angle_beta   57.317
_cell_angle_gamma   46.879
_symmetry_Int_Tables_number   1
_cell_volume   460.379
_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  0.793  0.207  0.250  1.0
  Li  Li1  1  0.207  0.793  0.750  1.0
  Dy  Dy2  1  0.296  0.704  0.250  1.0
  Dy  Dy3  1  0.704  0.296  0.750  1.0
  P  P4  1  0.795  0.495  0.307  1.0
  P  P5  1  0.505  0.205  0.193  1.0
  P  P6  1  0.205  0.505  0.693  1.0
  P  P7  1  0.495  0.795  0.807  1.0
  P  P8  1  0.188  0.086  0.384  1.0
  P  P9  1  0.914  0.812  0.116  1.0
  P  P10  1  0.812  0.914  0.616  1.0
  P  P11  1  0.086  0.188  0.884  1.0
  O  O12  1  0.741  0.508  0.477  1.0
  O  O13  1  0.492  0.259  0.023  1.0
  O  O14  1  0.259  0.492  0.523  1.0
  O  O15  1  0.508  0.741  0.977  1.0
  O  O16  1  0.654  0.490  0.273  1.0
  O  O17  1  0.510  0.346  0.227  1.0
  O  O18  1  0.346  0.510  0.727  1.0
  O  O19  1  0.490  0.654  0.773  1.0
  O  O20  1  0.900  0.323  0.816  1.0
  O  O21  1  0.677  0.100  0.684  1.0
  O  O22  1  0.100  0.677  0.184  1.0
  O  O23  1  0.323  0.900  0.316  1.0
  O  O24  1  0.062  0.071  0.071  1.0
  O  O25  1  0.929  0.938  0.429  1.0
  O  O26  1  0.938  0.929  0.929  1.0
  O  O27  1  0.071  0.062  0.571  1.0
  O  O28  1  0.166  0.324  0.847  1.0
  O  O29  1  0.676  0.834  0.653  1.0
  O  O30  1  0.834  0.676  0.153  1.0
  O  O31  1  0.324  0.166  0.347  1.0
  O  O32  1  0.283  0.028  0.768  1.0
  O  O33  1  0.972  0.717  0.732  1.0
  O  O34  1  0.717  0.972  0.232  1.0
  O  O35  1  0.028  0.283  0.268  1.0
[/CIF]
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