The structure described by SrMgFe2(SeO3)4 crystallizes in the monoclinic P2/m space group. Sr(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to two equivalent O(4) and four equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded in an octahedral geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(3) atoms. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(4) and two equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), one Mg(1), one Fe(2), and one Se(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one Se(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1), one Fe(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrMgFe2(SeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.949
_cell_length_b   7.314
_cell_length_c   6.823
_cell_angle_alpha   92.367
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   296.583
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  Mg  Mg1  1  0.000  0.500  0.500  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.500  0.500  0.000  1.0
  Se  Se4  1  0.500  0.896  0.279  1.0
  Se  Se5  1  0.000  0.300  0.121  1.0
  Se  Se6  1  0.000  0.700  0.879  1.0
  Se  Se7  1  0.500  0.104  0.721  1.0
  O  O8  1  0.789  0.573  0.750  1.0
  O  O9  1  0.500  0.238  0.937  1.0
  O  O10  1  0.724  0.197  0.592  1.0
  O  O11  1  0.211  0.573  0.750  1.0
  O  O12  1  0.000  0.093  0.218  1.0
  O  O13  1  0.500  0.762  0.063  1.0
  O  O14  1  0.276  0.197  0.592  1.0
  O  O15  1  0.724  0.803  0.408  1.0
  O  O16  1  0.000  0.907  0.782  1.0
  O  O17  1  0.276  0.803  0.408  1.0
  O  O18  1  0.789  0.427  0.250  1.0
  O  O19  1  0.211  0.427  0.250  1.0
[/CIF]
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The structure described by SrMgFe2(SeO3)4 crystallizes in the monoclinic P2/m space group. Sr(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to two equivalent O(4) and four equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded in an octahedral geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(3) atoms. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(4) and two equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), one Mg(1), one Fe(2), and one Se(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one Se(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1), one Fe(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrMgFe2(SeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.949
_cell_length_b   7.314
_cell_length_c   6.823
_cell_angle_alpha   92.367
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   296.583
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  Mg  Mg1  1  0.000  0.500  0.500  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.500  0.500  0.000  1.0
  Se  Se4  1  0.500  0.896  0.279  1.0
  Se  Se5  1  0.000  0.300  0.121  1.0
  Se  Se6  1  0.000  0.700  0.879  1.0
  Se  Se7  1  0.500  0.104  0.721  1.0
  O  O8  1  0.789  0.573  0.750  1.0
  O  O9  1  0.500  0.238  0.937  1.0
  O  O10  1  0.724  0.197  0.592  1.0
  O  O11  1  0.211  0.573  0.750  1.0
  O  O12  1  0.000  0.093  0.218  1.0
  O  O13  1  0.500  0.762  0.063  1.0
  O  O14  1  0.276  0.197  0.592  1.0
  O  O15  1  0.724  0.803  0.408  1.0
  O  O16  1  0.000  0.907  0.782  1.0
  O  O17  1  0.276  0.803  0.408  1.0
  O  O18  1  0.789  0.427  0.250  1.0
  O  O19  1  0.211  0.427  0.250  1.0
[/CIF]
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