The material described by LaPO4 is Zircon-like structured and crystallizes in the hexagonal P6_222 space group. La(1) is bonded to eight equivalent O(1) atoms to form distorted LaO8 hexagonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra, edges with four equivalent La(1)O8 hexagonal bipyramids, and edges with two equivalent P(1)O4 tetrahedra. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent La(1)O8 hexagonal bipyramids and edges with two equivalent La(1)O8 hexagonal bipyramids. O(1) is bonded in a 3-coordinate geometry to two equivalent La(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LaPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.218
_cell_length_b   7.218
_cell_length_c   6.455
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   291.263
_cell_formula_units_Z   3
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
  La  La0  1  0.000  0.500  0.667  1.0
  La  La1  1  0.500  0.500  0.333  1.0
  La  La2  1  0.500  0.000  0.000  1.0
  P  P3  1  0.000  0.500  0.167  1.0
  P  P4  1  0.500  0.500  0.833  1.0
  P  P5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.447  0.311  0.979  1.0
  O  O7  1  0.689  0.136  0.645  1.0
  O  O8  1  0.864  0.553  0.312  1.0
  O  O9  1  0.136  0.447  0.312  1.0
  O  O10  1  0.553  0.864  0.355  1.0
  O  O11  1  0.553  0.689  0.979  1.0
  O  O12  1  0.447  0.136  0.355  1.0
  O  O13  1  0.311  0.447  0.688  1.0
  O  O14  1  0.136  0.689  0.021  1.0
  O  O15  1  0.864  0.311  0.021  1.0
  O  O16  1  0.689  0.553  0.688  1.0
  O  O17  1  0.311  0.864  0.645  1.0
[/CIF]
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The material described by LaPO4 is Zircon-like structured and crystallizes in the hexagonal P6_222 space group. La(1) is bonded to eight equivalent O(1) atoms to form distorted LaO8 hexagonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra, edges with four equivalent La(1)O8 hexagonal bipyramids, and edges with two equivalent P(1)O4 tetrahedra. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent La(1)O8 hexagonal bipyramids and edges with two equivalent La(1)O8 hexagonal bipyramids. O(1) is bonded in a 3-coordinate geometry to two equivalent La(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LaPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.218
_cell_length_b   7.218
_cell_length_c   6.455
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   291.263
_cell_formula_units_Z   3
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
  La  La0  1  0.000  0.500  0.667  1.0
  La  La1  1  0.500  0.500  0.333  1.0
  La  La2  1  0.500  0.000  0.000  1.0
  P  P3  1  0.000  0.500  0.167  1.0
  P  P4  1  0.500  0.500  0.833  1.0
  P  P5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.447  0.311  0.979  1.0
  O  O7  1  0.689  0.136  0.645  1.0
  O  O8  1  0.864  0.553  0.312  1.0
  O  O9  1  0.136  0.447  0.312  1.0
  O  O10  1  0.553  0.864  0.355  1.0
  O  O11  1  0.553  0.689  0.979  1.0
  O  O12  1  0.447  0.136  0.355  1.0
  O  O13  1  0.311  0.447  0.688  1.0
  O  O14  1  0.136  0.689  0.021  1.0
  O  O15  1  0.864  0.311  0.021  1.0
  O  O16  1  0.689  0.553  0.688  1.0
  O  O17  1  0.311  0.864  0.645  1.0
[/CIF]
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