The material structure described by LaPO4 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(1), and four equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent La(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent La(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent La(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.281
_cell_length_b   7.422
_cell_length_c   9.221
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   361.422
_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
  La  La0  1  0.250  0.979  0.307  1.0
  La  La1  1  0.250  0.479  0.193  1.0
  La  La2  1  0.750  0.021  0.693  1.0
  La  La3  1  0.750  0.521  0.807  1.0
  P  P4  1  0.750  0.245  0.080  1.0
  P  P5  1  0.750  0.745  0.420  1.0
  P  P6  1  0.250  0.755  0.920  1.0
  P  P7  1  0.250  0.255  0.580  1.0
  O  O8  1  0.250  0.041  0.584  1.0
  O  O9  1  0.250  0.541  0.916  1.0
  O  O10  1  0.750  0.959  0.416  1.0
  O  O11  1  0.750  0.459  0.084  1.0
  O  O12  1  0.507  0.182  0.158  1.0
  O  O13  1  0.993  0.682  0.342  1.0
  O  O14  1  0.007  0.818  0.842  1.0
  O  O15  1  0.493  0.318  0.658  1.0
  O  O16  1  0.493  0.818  0.842  1.0
  O  O17  1  0.007  0.318  0.658  1.0
  O  O18  1  0.993  0.182  0.158  1.0
  O  O19  1  0.507  0.682  0.342  1.0
  O  O20  1  0.250  0.305  0.417  1.0
  O  O21  1  0.250  0.805  0.083  1.0
  O  O22  1  0.750  0.695  0.583  1.0
  O  O23  1  0.750  0.195  0.917  1.0
[/CIF]
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The material structure described by LaPO4 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(1), and four equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent La(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent La(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent La(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.281
_cell_length_b   7.422
_cell_length_c   9.221
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   361.422
_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
  La  La0  1  0.250  0.979  0.307  1.0
  La  La1  1  0.250  0.479  0.193  1.0
  La  La2  1  0.750  0.021  0.693  1.0
  La  La3  1  0.750  0.521  0.807  1.0
  P  P4  1  0.750  0.245  0.080  1.0
  P  P5  1  0.750  0.745  0.420  1.0
  P  P6  1  0.250  0.755  0.920  1.0
  P  P7  1  0.250  0.255  0.580  1.0
  O  O8  1  0.250  0.041  0.584  1.0
  O  O9  1  0.250  0.541  0.916  1.0
  O  O10  1  0.750  0.959  0.416  1.0
  O  O11  1  0.750  0.459  0.084  1.0
  O  O12  1  0.507  0.182  0.158  1.0
  O  O13  1  0.993  0.682  0.342  1.0
  O  O14  1  0.007  0.818  0.842  1.0
  O  O15  1  0.493  0.318  0.658  1.0
  O  O16  1  0.493  0.818  0.842  1.0
  O  O17  1  0.007  0.318  0.658  1.0
  O  O18  1  0.993  0.182  0.158  1.0
  O  O19  1  0.507  0.682  0.342  1.0
  O  O20  1  0.250  0.305  0.417  1.0
  O  O21  1  0.250  0.805  0.083  1.0
  O  O22  1  0.750  0.695  0.583  1.0
  O  O23  1  0.750  0.195  0.917  1.0
[/CIF]
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