The material described by Sm(PO3)3 crystallizes in the orthorhombic C222_1 space group. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form corner-sharing PO4 tetrahedra. There are five 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(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to one Sm(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sm(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Sm(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.985
_cell_length_b   6.985
_cell_length_c   7.229
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   105.219
_symmetry_Int_Tables_number   1
_cell_volume   340.346
_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
  Sm  Sm0  1  0.623  0.623  0.500  1.0
  Sm  Sm1  1  0.377  0.377  0.000  1.0
  P  P2  1  0.835  0.187  0.956  1.0
  P  P3  1  0.165  0.813  0.456  1.0
  P  P4  1  0.813  0.165  0.544  1.0
  P  P5  1  0.187  0.835  0.044  1.0
  P  P6  1  0.249  0.249  0.500  1.0
  P  P7  1  0.751  0.751  0.000  1.0
  O  O8  1  0.327  0.368  0.670  1.0
  O  O9  1  0.673  0.632  0.170  1.0
  O  O10  1  0.632  0.673  0.830  1.0
  O  O11  1  0.368  0.327  0.330  1.0
  O  O12  1  0.874  0.126  0.750  1.0
  O  O13  1  0.126  0.874  0.250  1.0
  O  O14  1  0.712  0.325  0.537  1.0
  O  O15  1  0.288  0.675  0.037  1.0
  O  O16  1  0.675  0.288  0.963  1.0
  O  O17  1  0.325  0.712  0.463  1.0
  O  O18  1  0.971  0.752  0.955  1.0
  O  O19  1  0.029  0.248  0.455  1.0
  O  O20  1  0.248  0.029  0.545  1.0
  O  O21  1  0.752  0.971  0.045  1.0
  O  O22  1  0.970  0.717  0.539  1.0
  O  O23  1  0.030  0.283  0.039  1.0
  O  O24  1  0.283  0.030  0.961  1.0
  O  O25  1  0.717  0.970  0.461  1.0
[/CIF]
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The material described by Sm(PO3)3 crystallizes in the orthorhombic C222_1 space group. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form corner-sharing PO4 tetrahedra. There are five 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(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to one Sm(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sm(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Sm(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.985
_cell_length_b   6.985
_cell_length_c   7.229
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   105.219
_symmetry_Int_Tables_number   1
_cell_volume   340.346
_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
  Sm  Sm0  1  0.623  0.623  0.500  1.0
  Sm  Sm1  1  0.377  0.377  0.000  1.0
  P  P2  1  0.835  0.187  0.956  1.0
  P  P3  1  0.165  0.813  0.456  1.0
  P  P4  1  0.813  0.165  0.544  1.0
  P  P5  1  0.187  0.835  0.044  1.0
  P  P6  1  0.249  0.249  0.500  1.0
  P  P7  1  0.751  0.751  0.000  1.0
  O  O8  1  0.327  0.368  0.670  1.0
  O  O9  1  0.673  0.632  0.170  1.0
  O  O10  1  0.632  0.673  0.830  1.0
  O  O11  1  0.368  0.327  0.330  1.0
  O  O12  1  0.874  0.126  0.750  1.0
  O  O13  1  0.126  0.874  0.250  1.0
  O  O14  1  0.712  0.325  0.537  1.0
  O  O15  1  0.288  0.675  0.037  1.0
  O  O16  1  0.675  0.288  0.963  1.0
  O  O17  1  0.325  0.712  0.463  1.0
  O  O18  1  0.971  0.752  0.955  1.0
  O  O19  1  0.029  0.248  0.455  1.0
  O  O20  1  0.248  0.029  0.545  1.0
  O  O21  1  0.752  0.971  0.045  1.0
  O  O22  1  0.970  0.717  0.539  1.0
  O  O23  1  0.030  0.283  0.039  1.0
  O  O24  1  0.283  0.030  0.961  1.0
  O  O25  1  0.717  0.970  0.461  1.0
[/CIF]
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