The material described by SmPO4 crystallizes in the monoclinic P2_1/c space group. Sm(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and three equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Sm(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Sm(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Sm(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Sm(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.891
_cell_length_b   6.353
_cell_length_c   8.049
_cell_angle_alpha   53.823
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   284.390
_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
  Sm  Sm0  1  0.656  0.184  0.218  1.0
  Sm  Sm1  1  0.156  0.816  0.282  1.0
  Sm  Sm2  1  0.344  0.816  0.782  1.0
  Sm  Sm3  1  0.844  0.184  0.718  1.0
  P  P4  1  0.661  0.689  0.198  1.0
  P  P5  1  0.161  0.311  0.302  1.0
  P  P6  1  0.339  0.311  0.802  1.0
  P  P7  1  0.839  0.689  0.698  1.0
  O  O8  1  0.711  0.410  0.378  1.0
  O  O9  1  0.211  0.590  0.122  1.0
  O  O10  1  0.289  0.590  0.622  1.0
  O  O11  1  0.789  0.410  0.878  1.0
  O  O12  1  0.603  0.661  0.028  1.0
  O  O13  1  0.103  0.339  0.472  1.0
  O  O14  1  0.397  0.339  0.972  1.0
  O  O15  1  0.897  0.661  0.528  1.0
  O  O16  1  0.997  0.812  0.750  1.0
  O  O17  1  0.497  0.188  0.750  1.0
  O  O18  1  0.003  0.188  0.250  1.0
  O  O19  1  0.503  0.812  0.250  1.0
  O  O20  1  0.666  0.881  0.617  1.0
  O  O21  1  0.166  0.119  0.883  1.0
  O  O22  1  0.334  0.119  0.383  1.0
  O  O23  1  0.834  0.881  0.117  1.0
[/CIF]
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The material described by SmPO4 crystallizes in the monoclinic P2_1/c space group. Sm(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and three equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Sm(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Sm(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Sm(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Sm(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.891
_cell_length_b   6.353
_cell_length_c   8.049
_cell_angle_alpha   53.823
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   284.390
_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
  Sm  Sm0  1  0.656  0.184  0.218  1.0
  Sm  Sm1  1  0.156  0.816  0.282  1.0
  Sm  Sm2  1  0.344  0.816  0.782  1.0
  Sm  Sm3  1  0.844  0.184  0.718  1.0
  P  P4  1  0.661  0.689  0.198  1.0
  P  P5  1  0.161  0.311  0.302  1.0
  P  P6  1  0.339  0.311  0.802  1.0
  P  P7  1  0.839  0.689  0.698  1.0
  O  O8  1  0.711  0.410  0.378  1.0
  O  O9  1  0.211  0.590  0.122  1.0
  O  O10  1  0.289  0.590  0.622  1.0
  O  O11  1  0.789  0.410  0.878  1.0
  O  O12  1  0.603  0.661  0.028  1.0
  O  O13  1  0.103  0.339  0.472  1.0
  O  O14  1  0.397  0.339  0.972  1.0
  O  O15  1  0.897  0.661  0.528  1.0
  O  O16  1  0.997  0.812  0.750  1.0
  O  O17  1  0.497  0.188  0.750  1.0
  O  O18  1  0.003  0.188  0.250  1.0
  O  O19  1  0.503  0.812  0.250  1.0
  O  O20  1  0.666  0.881  0.617  1.0
  O  O21  1  0.166  0.119  0.883  1.0
  O  O22  1  0.334  0.119  0.383  1.0
  O  O23  1  0.834  0.881  0.117  1.0
[/CIF]
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