The material described by SrFe(PO4)2 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(8), two equivalent O(1), and two equivalent O(6) atoms. Fe(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(7) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Sr(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), one Fe(1), and one P(2) atom. In the fifth O site, O(5) is bonded in an L-shaped geometry to one Fe(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one Fe(1), and one P(2) atom. is represented by the CIF file [CIF]
data_SrFe(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.783
_cell_length_b   7.233
_cell_length_c   9.110
_cell_angle_alpha   109.670
_cell_angle_beta   101.825
_cell_angle_gamma   99.559
_symmetry_Int_Tables_number   1
_cell_volume   339.547
_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  0.258  0.794  0.055  1.0
  Sr  Sr1  1  0.742  0.206  0.945  1.0
  Fe  Fe2  1  0.686  0.830  0.546  1.0
  Fe  Fe3  1  0.314  0.170  0.454  1.0
  P  P4  1  0.399  0.419  0.232  1.0
  P  P5  1  0.601  0.581  0.768  1.0
  P  P6  1  0.844  0.029  0.302  1.0
  P  P7  1  0.156  0.971  0.698  1.0
  O  O8  1  0.824  0.568  0.889  1.0
  O  O9  1  0.616  0.450  0.162  1.0
  O  O10  1  0.644  0.786  0.744  1.0
  O  O11  1  0.950  0.090  0.702  1.0
  O  O12  1  0.384  0.550  0.838  1.0
  O  O13  1  0.999  0.756  0.572  1.0
  O  O14  1  0.001  0.244  0.428  1.0
  O  O15  1  0.280  0.987  0.868  1.0
  O  O16  1  0.356  0.214  0.256  1.0
  O  O17  1  0.720  0.013  0.132  1.0
  O  O18  1  0.176  0.432  0.111  1.0
  O  O19  1  0.435  0.594  0.397  1.0
  O  O20  1  0.565  0.406  0.603  1.0
  O  O21  1  0.638  0.947  0.371  1.0
  O  O22  1  0.050  0.910  0.298  1.0
  O  O23  1  0.362  0.053  0.629  1.0
[/CIF]
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The material described by SrFe(PO4)2 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(8), two equivalent O(1), and two equivalent O(6) atoms. Fe(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(7) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Sr(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), one Fe(1), and one P(2) atom. In the fifth O site, O(5) is bonded in an L-shaped geometry to one Fe(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one Fe(1), and one P(2) atom. is represented by the CIF file [CIF]
data_SrFe(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.783
_cell_length_b   7.233
_cell_length_c   9.110
_cell_angle_alpha   109.670
_cell_angle_beta   101.825
_cell_angle_gamma   99.559
_symmetry_Int_Tables_number   1
_cell_volume   339.547
_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  0.258  0.794  0.055  1.0
  Sr  Sr1  1  0.742  0.206  0.945  1.0
  Fe  Fe2  1  0.686  0.830  0.546  1.0
  Fe  Fe3  1  0.314  0.170  0.454  1.0
  P  P4  1  0.399  0.419  0.232  1.0
  P  P5  1  0.601  0.581  0.768  1.0
  P  P6  1  0.844  0.029  0.302  1.0
  P  P7  1  0.156  0.971  0.698  1.0
  O  O8  1  0.824  0.568  0.889  1.0
  O  O9  1  0.616  0.450  0.162  1.0
  O  O10  1  0.644  0.786  0.744  1.0
  O  O11  1  0.950  0.090  0.702  1.0
  O  O12  1  0.384  0.550  0.838  1.0
  O  O13  1  0.999  0.756  0.572  1.0
  O  O14  1  0.001  0.244  0.428  1.0
  O  O15  1  0.280  0.987  0.868  1.0
  O  O16  1  0.356  0.214  0.256  1.0
  O  O17  1  0.720  0.013  0.132  1.0
  O  O18  1  0.176  0.432  0.111  1.0
  O  O19  1  0.435  0.594  0.397  1.0
  O  O20  1  0.565  0.406  0.603  1.0
  O  O21  1  0.638  0.947  0.371  1.0
  O  O22  1  0.050  0.910  0.298  1.0
  O  O23  1  0.362  0.053  0.629  1.0
[/CIF]
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