The material structure described by SrMgFe2(SeO3)4 crystallizes in the monoclinic Pm space group. Sr(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to one O(4), one O(7), two equivalent O(3), and two equivalent O(6) atoms. In the second Fe site, Fe(2) is bonded in an octahedral geometry to one O(2), one O(5), two equivalent O(1), and two equivalent O(8) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(5) and two equivalent O(6) atoms. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(4) and two equivalent O(8) atoms. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(7) and two equivalent O(1) atoms. In the fourth Se site, Se(4) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(3) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Mg(1), one Fe(2), and one Se(3) atom to form distorted edge-sharing OSrMgFeSe tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(2) and one Se(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Mg(1), one Fe(1), and one Se(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(1) and one Se(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(2) and one Se(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1), one Fe(1), and one Se(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(1) and one Se(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sr(1), one Fe(2), and one Se(2) atom. is represented by the CIF file [CIF]
data_SrMgFe2(SeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.630
_cell_length_b   7.314
_cell_length_c   7.397
_cell_angle_alpha   92.597
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   304.280
_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  0.522  0.488  1.0
  Mg  Mg1  1  0.000  0.335  0.745  1.0
  Fe  Fe2  1  0.000  0.979  0.480  1.0
  Fe  Fe3  1  0.500  0.499  0.016  1.0
  Se  Se4  1  0.500  0.910  0.268  1.0
  Se  Se5  1  0.000  0.301  0.132  1.0
  Se  Se6  1  0.000  0.710  0.887  1.0
  Se  Se7  1  0.500  0.097  0.726  1.0
  O  O8  1  0.775  0.557  0.799  1.0
  O  O9  1  0.500  0.220  0.926  1.0
  O  O10  1  0.738  0.199  0.610  1.0
  O  O11  1  0.225  0.557  0.799  1.0
  O  O12  1  0.000  0.096  0.227  1.0
  O  O13  1  0.500  0.776  0.071  1.0
  O  O14  1  0.262  0.199  0.610  1.0
  O  O15  1  0.724  0.813  0.397  1.0
  O  O16  1  0.000  0.891  0.754  1.0
  O  O17  1  0.276  0.813  0.397  1.0
  O  O18  1  0.759  0.421  0.219  1.0
  O  O19  1  0.241  0.421  0.219  1.0
[/CIF]
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The material structure described by SrMgFe2(SeO3)4 crystallizes in the monoclinic Pm space group. Sr(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to one O(4), one O(7), two equivalent O(3), and two equivalent O(6) atoms. In the second Fe site, Fe(2) is bonded in an octahedral geometry to one O(2), one O(5), two equivalent O(1), and two equivalent O(8) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(5) and two equivalent O(6) atoms. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(4) and two equivalent O(8) atoms. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(7) and two equivalent O(1) atoms. In the fourth Se site, Se(4) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(3) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Mg(1), one Fe(2), and one Se(3) atom to form distorted edge-sharing OSrMgFeSe tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(2) and one Se(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Mg(1), one Fe(1), and one Se(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(1) and one Se(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(2) and one Se(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1), one Fe(1), and one Se(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(1) and one Se(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sr(1), one Fe(2), and one Se(2) atom. is represented by the CIF file [CIF]
data_SrMgFe2(SeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.630
_cell_length_b   7.314
_cell_length_c   7.397
_cell_angle_alpha   92.597
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   304.280
_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  0.522  0.488  1.0
  Mg  Mg1  1  0.000  0.335  0.745  1.0
  Fe  Fe2  1  0.000  0.979  0.480  1.0
  Fe  Fe3  1  0.500  0.499  0.016  1.0
  Se  Se4  1  0.500  0.910  0.268  1.0
  Se  Se5  1  0.000  0.301  0.132  1.0
  Se  Se6  1  0.000  0.710  0.887  1.0
  Se  Se7  1  0.500  0.097  0.726  1.0
  O  O8  1  0.775  0.557  0.799  1.0
  O  O9  1  0.500  0.220  0.926  1.0
  O  O10  1  0.738  0.199  0.610  1.0
  O  O11  1  0.225  0.557  0.799  1.0
  O  O12  1  0.000  0.096  0.227  1.0
  O  O13  1  0.500  0.776  0.071  1.0
  O  O14  1  0.262  0.199  0.610  1.0
  O  O15  1  0.724  0.813  0.397  1.0
  O  O16  1  0.000  0.891  0.754  1.0
  O  O17  1  0.276  0.813  0.397  1.0
  O  O18  1  0.759  0.421  0.219  1.0
  O  O19  1  0.241  0.421  0.219  1.0
[/CIF]
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