The compound described by Sr2Mn2O5 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a distorted q6 geometry to two equivalent O(1) and eight equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra are not tilted. There are two 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 edge, face, and corner-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   3.688
_cell_length_b   5.716
_cell_length_c   5.716
_cell_angle_alpha   89.994
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   120.490
_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  1.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  O  O2  1  0.000  0.000  0.500  1.0
  O  O3  1  0.500  0.264  0.236  1.0
  O  O4  1  0.500  0.736  0.764  1.0
  O  O5  1  0.500  0.264  0.764  1.0
  O  O6  1  0.500  0.736  0.236  1.0
  Sr  Sr7  1  0.000  0.000  0.000  1.0
  Sr  Sr8  1  0.000  0.500  0.500  1.0
[/CIF]
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The compound described by Sr2Mn2O5 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a distorted q6 geometry to two equivalent O(1) and eight equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra are not tilted. There are two 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 edge, face, and corner-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   3.688
_cell_length_b   5.716
_cell_length_c   5.716
_cell_angle_alpha   89.994
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   120.490
_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  1.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  O  O2  1  0.000  0.000  0.500  1.0
  O  O3  1  0.500  0.264  0.236  1.0
  O  O4  1  0.500  0.736  0.764  1.0
  O  O5  1  0.500  0.264  0.764  1.0
  O  O6  1  0.500  0.736  0.236  1.0
  Sr  Sr7  1  0.000  0.000  0.000  1.0
  Sr  Sr8  1  0.000  0.500  0.500  1.0
[/CIF]
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