The structure described by Sr2Mn2O5 crystallizes in the orthorhombic Cmmm space group. Sr(1) is bonded in a distorted q6 geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to four equivalent Sr(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded to four equivalent Sr(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner, face, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner, face, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2Mn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.706
_cell_length_b   5.730
_cell_length_c   5.730
_cell_angle_alpha   94.076
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   121.352
_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
  Mn  Mn0  1  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.500  1.000  0.500  1.0
  O  O2  1  0.000  0.000  0.500  1.0
  O  O3  1  0.500  0.257  0.757  1.0
  O  O4  1  0.500  0.743  0.243  1.0
  O  O5  1  0.500  0.273  0.227  1.0
  O  O6  1  0.500  0.727  0.773  1.0
  Sr  Sr7  1  1.000  1.000  0.000  1.0
  Sr  Sr8  1  1.000  0.500  0.500  1.0
[/CIF]
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The structure described by Sr2Mn2O5 crystallizes in the orthorhombic Cmmm space group. Sr(1) is bonded in a distorted q6 geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to four equivalent Sr(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded to four equivalent Sr(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner, face, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner, face, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2Mn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.706
_cell_length_b   5.730
_cell_length_c   5.730
_cell_angle_alpha   94.076
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   121.352
_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
  Mn  Mn0  1  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.500  1.000  0.500  1.0
  O  O2  1  0.000  0.000  0.500  1.0
  O  O3  1  0.500  0.257  0.757  1.0
  O  O4  1  0.500  0.743  0.243  1.0
  O  O5  1  0.500  0.273  0.227  1.0
  O  O6  1  0.500  0.727  0.773  1.0
  Sr  Sr7  1  1.000  1.000  0.000  1.0
  Sr  Sr8  1  1.000  0.500  0.500  1.0
[/CIF]
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