The material described by SrMgFe(PO4)2 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(6) atom. Mg(1) is bonded in a 2-coordinate geometry to one O(2), one O(4), one O(6), one O(7), and one O(8) atom. Fe(1) is bonded in a distorted bent 150 degrees geometry to one O(4), 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 4-coordinate 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 1-coordinate 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 2-coordinate geometry to one Sr(1) and one P(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Mg(1) and one P(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Sr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Mg(1), one Fe(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1), one Mg(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one P(2) atom. is represented by the CIF file [CIF]
data_SrMgFe(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.589
_cell_length_b   6.789
_cell_length_c   9.505
_cell_angle_alpha   110.217
_cell_angle_beta   101.643
_cell_angle_gamma   98.165
_symmetry_Int_Tables_number   1
_cell_volume   322.548
_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  0.204  0.747  0.053  1.0
  Sr  Sr1  1  0.796  0.253  0.947  1.0
  Mg  Mg2  1  0.349  0.753  0.648  1.0
  Mg  Mg3  1  0.651  0.247  0.352  1.0
  Fe  Fe4  1  0.075  0.289  0.556  1.0
  Fe  Fe5  1  0.925  0.711  0.444  1.0
  P  P6  1  0.156  0.188  0.234  1.0
  P  P7  1  0.844  0.812  0.766  1.0
  P  P8  1  0.543  0.724  0.302  1.0
  P  P9  1  0.457  0.276  0.698  1.0
  O  O10  1  0.942  0.668  0.885  1.0
  O  O11  1  0.444  0.269  0.208  1.0
  O  O12  1  0.894  0.041  0.767  1.0
  O  O13  1  0.270  0.430  0.685  1.0
  O  O14  1  0.556  0.731  0.792  1.0
  O  O15  1  0.429  0.153  0.583  1.0
  O  O16  1  0.571  0.847  0.417  1.0
  O  O17  1  0.381  0.132  0.867  1.0
  O  O18  1  0.106  0.959  0.233  1.0
  O  O19  1  0.619  0.868  0.133  1.0
  O  O20  1  0.058  0.332  0.115  1.0
  O  O21  1  0.978  0.191  0.394  1.0
  O  O22  1  0.022  0.809  0.606  1.0
  O  O23  1  0.260  0.589  0.362  1.0
  O  O24  1  0.730  0.570  0.315  1.0
  O  O25  1  0.740  0.411  0.638  1.0
[/CIF]
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The material described by SrMgFe(PO4)2 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(6) atom. Mg(1) is bonded in a 2-coordinate geometry to one O(2), one O(4), one O(6), one O(7), and one O(8) atom. Fe(1) is bonded in a distorted bent 150 degrees geometry to one O(4), 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 4-coordinate 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 1-coordinate 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 2-coordinate geometry to one Sr(1) and one P(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Mg(1) and one P(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Sr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Mg(1), one Fe(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1), one Mg(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one P(2) atom. is represented by the CIF file [CIF]
data_SrMgFe(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.589
_cell_length_b   6.789
_cell_length_c   9.505
_cell_angle_alpha   110.217
_cell_angle_beta   101.643
_cell_angle_gamma   98.165
_symmetry_Int_Tables_number   1
_cell_volume   322.548
_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  0.204  0.747  0.053  1.0
  Sr  Sr1  1  0.796  0.253  0.947  1.0
  Mg  Mg2  1  0.349  0.753  0.648  1.0
  Mg  Mg3  1  0.651  0.247  0.352  1.0
  Fe  Fe4  1  0.075  0.289  0.556  1.0
  Fe  Fe5  1  0.925  0.711  0.444  1.0
  P  P6  1  0.156  0.188  0.234  1.0
  P  P7  1  0.844  0.812  0.766  1.0
  P  P8  1  0.543  0.724  0.302  1.0
  P  P9  1  0.457  0.276  0.698  1.0
  O  O10  1  0.942  0.668  0.885  1.0
  O  O11  1  0.444  0.269  0.208  1.0
  O  O12  1  0.894  0.041  0.767  1.0
  O  O13  1  0.270  0.430  0.685  1.0
  O  O14  1  0.556  0.731  0.792  1.0
  O  O15  1  0.429  0.153  0.583  1.0
  O  O16  1  0.571  0.847  0.417  1.0
  O  O17  1  0.381  0.132  0.867  1.0
  O  O18  1  0.106  0.959  0.233  1.0
  O  O19  1  0.619  0.868  0.133  1.0
  O  O20  1  0.058  0.332  0.115  1.0
  O  O21  1  0.978  0.191  0.394  1.0
  O  O22  1  0.022  0.809  0.606  1.0
  O  O23  1  0.260  0.589  0.362  1.0
  O  O24  1  0.730  0.570  0.315  1.0
  O  O25  1  0.740  0.411  0.638  1.0
[/CIF]
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