The material structure described by Sr2Mn2SeO4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 4-coordinate geometry to two equivalent Se(1), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted square co-planar geometry to one Se(1), two equivalent O(1), and two equivalent O(2) atoms. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one Se(1), two equivalent O(1), and two equivalent O(2) atoms. Se(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Mn(1), and one Mn(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OSr2Mn2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Sr(1), one Mn(1), and one Mn(2) atom to form a mixture of corner and edge-sharing OSr2Mn2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2Mn2SeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.354
_cell_length_b   9.665
_cell_length_c   10.449
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   641.734
_cell_formula_units_Z   4
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  0.235  0.872  0.452  1.0
  Sr  Sr1  1  0.265  0.372  0.048  1.0
  Sr  Sr2  1  0.765  0.128  0.952  1.0
  Sr  Sr3  1  0.735  0.628  0.548  1.0
  Sr  Sr4  1  0.765  0.128  0.548  1.0
  Sr  Sr5  1  0.735  0.628  0.952  1.0
  Sr  Sr6  1  0.235  0.872  0.048  1.0
  Sr  Sr7  1  0.265  0.372  0.452  1.0
  Mn  Mn8  1  0.725  0.880  0.250  1.0
  Mn  Mn9  1  0.775  0.380  0.250  1.0
  Mn  Mn10  1  0.275  0.120  0.750  1.0
  Mn  Mn11  1  0.225  0.620  0.750  1.0
  Mn  Mn12  1  0.532  0.621  0.250  1.0
  Mn  Mn13  1  0.968  0.121  0.250  1.0
  Mn  Mn14  1  0.468  0.379  0.750  1.0
  Mn  Mn15  1  0.032  0.879  0.750  1.0
  Se  Se16  1  0.409  0.115  0.250  1.0
  Se  Se17  1  0.091  0.615  0.250  1.0
  Se  Se18  1  0.591  0.885  0.750  1.0
  Se  Se19  1  0.909  0.385  0.750  1.0
  O  O20  1  0.602  0.476  0.373  1.0
  O  O21  1  0.898  0.976  0.127  1.0
  O  O22  1  0.398  0.524  0.873  1.0
  O  O23  1  0.102  0.024  0.627  1.0
  O  O24  1  0.398  0.524  0.627  1.0
  O  O25  1  0.102  0.024  0.873  1.0
  O  O26  1  0.602  0.476  0.127  1.0
  O  O27  1  0.898  0.976  0.373  1.0
  O  O28  1  0.575  0.769  0.375  1.0
  O  O29  1  0.925  0.269  0.125  1.0
  O  O30  1  0.425  0.231  0.875  1.0
  O  O31  1  0.075  0.731  0.625  1.0
  O  O32  1  0.425  0.231  0.625  1.0
  O  O33  1  0.075  0.731  0.875  1.0
  O  O34  1  0.575  0.769  0.125  1.0
  O  O35  1  0.925  0.269  0.375  1.0
[/CIF]
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The material structure described by Sr2Mn2SeO4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 4-coordinate geometry to two equivalent Se(1), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted square co-planar geometry to one Se(1), two equivalent O(1), and two equivalent O(2) atoms. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one Se(1), two equivalent O(1), and two equivalent O(2) atoms. Se(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Mn(1), and one Mn(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OSr2Mn2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Sr(1), one Mn(1), and one Mn(2) atom to form a mixture of corner and edge-sharing OSr2Mn2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2Mn2SeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.354
_cell_length_b   9.665
_cell_length_c   10.449
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   641.734
_cell_formula_units_Z   4
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  0.235  0.872  0.452  1.0
  Sr  Sr1  1  0.265  0.372  0.048  1.0
  Sr  Sr2  1  0.765  0.128  0.952  1.0
  Sr  Sr3  1  0.735  0.628  0.548  1.0
  Sr  Sr4  1  0.765  0.128  0.548  1.0
  Sr  Sr5  1  0.735  0.628  0.952  1.0
  Sr  Sr6  1  0.235  0.872  0.048  1.0
  Sr  Sr7  1  0.265  0.372  0.452  1.0
  Mn  Mn8  1  0.725  0.880  0.250  1.0
  Mn  Mn9  1  0.775  0.380  0.250  1.0
  Mn  Mn10  1  0.275  0.120  0.750  1.0
  Mn  Mn11  1  0.225  0.620  0.750  1.0
  Mn  Mn12  1  0.532  0.621  0.250  1.0
  Mn  Mn13  1  0.968  0.121  0.250  1.0
  Mn  Mn14  1  0.468  0.379  0.750  1.0
  Mn  Mn15  1  0.032  0.879  0.750  1.0
  Se  Se16  1  0.409  0.115  0.250  1.0
  Se  Se17  1  0.091  0.615  0.250  1.0
  Se  Se18  1  0.591  0.885  0.750  1.0
  Se  Se19  1  0.909  0.385  0.750  1.0
  O  O20  1  0.602  0.476  0.373  1.0
  O  O21  1  0.898  0.976  0.127  1.0
  O  O22  1  0.398  0.524  0.873  1.0
  O  O23  1  0.102  0.024  0.627  1.0
  O  O24  1  0.398  0.524  0.627  1.0
  O  O25  1  0.102  0.024  0.873  1.0
  O  O26  1  0.602  0.476  0.127  1.0
  O  O27  1  0.898  0.976  0.373  1.0
  O  O28  1  0.575  0.769  0.375  1.0
  O  O29  1  0.925  0.269  0.125  1.0
  O  O30  1  0.425  0.231  0.875  1.0
  O  O31  1  0.075  0.731  0.625  1.0
  O  O32  1  0.425  0.231  0.625  1.0
  O  O33  1  0.075  0.731  0.875  1.0
  O  O34  1  0.575  0.769  0.125  1.0
  O  O35  1  0.925  0.269  0.375  1.0
[/CIF]
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