The compound described by SrFeSn(PO4)3 crystallizes in the trigonal R-3 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a hexagonal planar geometry to six equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. Fe(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. Sn(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form SnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-38°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(2), one Sn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), one Fe(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. is represented by the CIF file [CIF]
data_SrFeSn(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.194
_cell_length_b   9.194
_cell_length_c   9.194
_cell_angle_alpha   55.769
_cell_angle_beta   55.769
_cell_angle_gamma   55.769
_symmetry_Int_Tables_number   1
_cell_volume   495.592
_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
  Sr  Sr0  1  0.000  0.000  0.000  1.0
  Sr  Sr1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  0.848  0.848  0.848  1.0
  Fe  Fe3  1  0.152  0.152  0.152  1.0
  Sn  Sn4  1  0.649  0.649  0.649  1.0
  Sn  Sn5  1  0.351  0.351  0.351  1.0
  P  P6  1  0.755  0.459  0.039  1.0
  P  P7  1  0.541  0.961  0.245  1.0
  P  P8  1  0.459  0.039  0.755  1.0
  P  P9  1  0.961  0.245  0.541  1.0
  P  P10  1  0.245  0.541  0.961  1.0
  P  P11  1  0.039  0.755  0.459  1.0
  O  O12  1  0.406  0.593  0.768  1.0
  O  O13  1  0.768  0.406  0.593  1.0
  O  O14  1  0.593  0.768  0.406  1.0
  O  O15  1  0.292  0.045  0.942  1.0
  O  O16  1  0.720  0.476  0.883  1.0
  O  O17  1  0.117  0.280  0.524  1.0
  O  O18  1  0.017  0.747  0.641  1.0
  O  O19  1  0.232  0.594  0.407  1.0
  O  O20  1  0.045  0.942  0.292  1.0
  O  O21  1  0.747  0.641  0.017  1.0
  O  O22  1  0.280  0.524  0.117  1.0
  O  O23  1  0.407  0.232  0.594  1.0
  O  O24  1  0.253  0.359  0.983  1.0
  O  O25  1  0.594  0.407  0.232  1.0
  O  O26  1  0.058  0.708  0.955  1.0
  O  O27  1  0.983  0.253  0.359  1.0
  O  O28  1  0.955  0.058  0.708  1.0
  O  O29  1  0.476  0.883  0.720  1.0
  O  O30  1  0.641  0.017  0.747  1.0
  O  O31  1  0.359  0.983  0.253  1.0
  O  O32  1  0.883  0.720  0.476  1.0
  O  O33  1  0.708  0.955  0.058  1.0
  O  O34  1  0.524  0.117  0.280  1.0
  O  O35  1  0.942  0.292  0.045  1.0
[/CIF]
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The compound described by SrFeSn(PO4)3 crystallizes in the trigonal R-3 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a hexagonal planar geometry to six equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. Fe(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. Sn(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form SnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-38°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(2), one Sn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), one Fe(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. is represented by the CIF file [CIF]
data_SrFeSn(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.194
_cell_length_b   9.194
_cell_length_c   9.194
_cell_angle_alpha   55.769
_cell_angle_beta   55.769
_cell_angle_gamma   55.769
_symmetry_Int_Tables_number   1
_cell_volume   495.592
_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
  Sr  Sr0  1  0.000  0.000  0.000  1.0
  Sr  Sr1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  0.848  0.848  0.848  1.0
  Fe  Fe3  1  0.152  0.152  0.152  1.0
  Sn  Sn4  1  0.649  0.649  0.649  1.0
  Sn  Sn5  1  0.351  0.351  0.351  1.0
  P  P6  1  0.755  0.459  0.039  1.0
  P  P7  1  0.541  0.961  0.245  1.0
  P  P8  1  0.459  0.039  0.755  1.0
  P  P9  1  0.961  0.245  0.541  1.0
  P  P10  1  0.245  0.541  0.961  1.0
  P  P11  1  0.039  0.755  0.459  1.0
  O  O12  1  0.406  0.593  0.768  1.0
  O  O13  1  0.768  0.406  0.593  1.0
  O  O14  1  0.593  0.768  0.406  1.0
  O  O15  1  0.292  0.045  0.942  1.0
  O  O16  1  0.720  0.476  0.883  1.0
  O  O17  1  0.117  0.280  0.524  1.0
  O  O18  1  0.017  0.747  0.641  1.0
  O  O19  1  0.232  0.594  0.407  1.0
  O  O20  1  0.045  0.942  0.292  1.0
  O  O21  1  0.747  0.641  0.017  1.0
  O  O22  1  0.280  0.524  0.117  1.0
  O  O23  1  0.407  0.232  0.594  1.0
  O  O24  1  0.253  0.359  0.983  1.0
  O  O25  1  0.594  0.407  0.232  1.0
  O  O26  1  0.058  0.708  0.955  1.0
  O  O27  1  0.983  0.253  0.359  1.0
  O  O28  1  0.955  0.058  0.708  1.0
  O  O29  1  0.476  0.883  0.720  1.0
  O  O30  1  0.641  0.017  0.747  1.0
  O  O31  1  0.359  0.983  0.253  1.0
  O  O32  1  0.883  0.720  0.476  1.0
  O  O33  1  0.708  0.955  0.058  1.0
  O  O34  1  0.524  0.117  0.280  1.0
  O  O35  1  0.942  0.292  0.045  1.0
[/CIF]
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