The compound described by LiSm(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(5) atoms. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) 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(2), one O(3), one O(4), 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 3-coordinate geometry to one Li(1), one Sm(1), and one P(2) atom. In the second O site, O(4) is bonded in a 2-coordinate geometry to one Sm(1) and one P(2) atom. In the third O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Sm(1), and one P(1) 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 distorted bent 150 degrees geometry to one Sm(1) and one P(1) atom. In the sixth O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiSm(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.023
_cell_length_b   9.023
_cell_length_c   9.815
_cell_angle_alpha   57.099
_cell_angle_beta   57.099
_cell_angle_gamma   46.604
_symmetry_Int_Tables_number   1
_cell_volume   468.186
_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  0.797  0.203  0.750  1.0
  Li  Li1  1  0.203  0.797  0.250  1.0
  Sm  Sm2  1  0.701  0.299  0.250  1.0
  Sm  Sm3  1  0.299  0.701  0.750  1.0
  P  P4  1  0.193  0.083  0.338  1.0
  P  P5  1  0.917  0.807  0.162  1.0
  P  P6  1  0.807  0.917  0.662  1.0
  P  P7  1  0.083  0.193  0.838  1.0
  P  P8  1  0.803  0.492  0.403  1.0
  P  P9  1  0.508  0.197  0.097  1.0
  P  P10  1  0.197  0.508  0.597  1.0
  P  P11  1  0.492  0.803  0.903  1.0
  O  O12  1  0.330  0.897  0.454  1.0
  O  O13  1  0.103  0.670  0.046  1.0
  O  O14  1  0.670  0.103  0.546  1.0
  O  O15  1  0.897  0.330  0.954  1.0
  O  O16  1  0.038  0.280  0.415  1.0
  O  O17  1  0.720  0.962  0.085  1.0
  O  O18  1  0.962  0.720  0.585  1.0
  O  O19  1  0.280  0.038  0.915  1.0
  O  O20  1  0.666  0.481  0.583  1.0
  O  O21  1  0.519  0.334  0.917  1.0
  O  O22  1  0.334  0.519  0.417  1.0
  O  O23  1  0.481  0.666  0.083  1.0
  O  O24  1  0.744  0.513  0.275  1.0
  O  O25  1  0.487  0.256  0.225  1.0
  O  O26  1  0.256  0.487  0.725  1.0
  O  O27  1  0.513  0.744  0.775  1.0
  O  O28  1  0.070  0.062  0.297  1.0
  O  O29  1  0.938  0.930  0.203  1.0
  O  O30  1  0.930  0.938  0.703  1.0
  O  O31  1  0.062  0.070  0.797  1.0
  O  O32  1  0.328  0.160  0.157  1.0
  O  O33  1  0.840  0.672  0.343  1.0
  O  O34  1  0.672  0.840  0.843  1.0
  O  O35  1  0.160  0.328  0.657  1.0
[/CIF]
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The compound described by LiSm(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(5) atoms. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) 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(2), one O(3), one O(4), 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 3-coordinate geometry to one Li(1), one Sm(1), and one P(2) atom. In the second O site, O(4) is bonded in a 2-coordinate geometry to one Sm(1) and one P(2) atom. In the third O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Sm(1), and one P(1) 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 distorted bent 150 degrees geometry to one Sm(1) and one P(1) atom. In the sixth O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiSm(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.023
_cell_length_b   9.023
_cell_length_c   9.815
_cell_angle_alpha   57.099
_cell_angle_beta   57.099
_cell_angle_gamma   46.604
_symmetry_Int_Tables_number   1
_cell_volume   468.186
_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  0.797  0.203  0.750  1.0
  Li  Li1  1  0.203  0.797  0.250  1.0
  Sm  Sm2  1  0.701  0.299  0.250  1.0
  Sm  Sm3  1  0.299  0.701  0.750  1.0
  P  P4  1  0.193  0.083  0.338  1.0
  P  P5  1  0.917  0.807  0.162  1.0
  P  P6  1  0.807  0.917  0.662  1.0
  P  P7  1  0.083  0.193  0.838  1.0
  P  P8  1  0.803  0.492  0.403  1.0
  P  P9  1  0.508  0.197  0.097  1.0
  P  P10  1  0.197  0.508  0.597  1.0
  P  P11  1  0.492  0.803  0.903  1.0
  O  O12  1  0.330  0.897  0.454  1.0
  O  O13  1  0.103  0.670  0.046  1.0
  O  O14  1  0.670  0.103  0.546  1.0
  O  O15  1  0.897  0.330  0.954  1.0
  O  O16  1  0.038  0.280  0.415  1.0
  O  O17  1  0.720  0.962  0.085  1.0
  O  O18  1  0.962  0.720  0.585  1.0
  O  O19  1  0.280  0.038  0.915  1.0
  O  O20  1  0.666  0.481  0.583  1.0
  O  O21  1  0.519  0.334  0.917  1.0
  O  O22  1  0.334  0.519  0.417  1.0
  O  O23  1  0.481  0.666  0.083  1.0
  O  O24  1  0.744  0.513  0.275  1.0
  O  O25  1  0.487  0.256  0.225  1.0
  O  O26  1  0.256  0.487  0.725  1.0
  O  O27  1  0.513  0.744  0.775  1.0
  O  O28  1  0.070  0.062  0.297  1.0
  O  O29  1  0.938  0.930  0.203  1.0
  O  O30  1  0.930  0.938  0.703  1.0
  O  O31  1  0.062  0.070  0.797  1.0
  O  O32  1  0.328  0.160  0.157  1.0
  O  O33  1  0.840  0.672  0.343  1.0
  O  O34  1  0.672  0.840  0.843  1.0
  O  O35  1  0.160  0.328  0.657  1.0
[/CIF]
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