The compound described by Sr2YMn2O7 crystallizes in the orthorhombic Imma space group. Sr(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form distorted SrO6 pentagonal pyramids that share corners with six equivalent Sr(1)O6 pentagonal pyramids, corners with four equivalent Mn(1)O5 trigonal bipyramids, edges with three equivalent Sr(1)O6 pentagonal pyramids, and faces with two equivalent Sr(1)O6 pentagonal pyramids. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. Mn(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share corners with four equivalent Sr(1)O6 pentagonal pyramids and corners with four equivalent Mn(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Sr(1) atoms. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OY2Mn2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Y(1) and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OY2Mn2 tetrahedra. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2YMn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.317
_cell_length_b   13.317
_cell_length_c   13.317
_cell_angle_alpha   157.197
_cell_angle_beta   156.995
_cell_angle_gamma   32.615
_symmetry_Int_Tables_number   1
_cell_volume   357.431
_cell_formula_units_Z   2
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  0.821  0.778  0.957  1.0
  Sr  Sr1  1  0.179  0.222  0.043  1.0
  Sr  Sr2  1  0.679  0.635  0.957  1.0
  Sr  Sr3  1  0.321  0.365  0.043  1.0
  Y  Y4  1  0.500  0.500  0.000  1.0
  Y  Y5  1  0.000  0.000  0.000  1.0
  Mn  Mn6  1  0.421  0.926  0.505  1.0
  Mn  Mn7  1  0.579  0.074  0.495  1.0
  Mn  Mn8  1  0.079  0.584  0.505  1.0
  Mn  Mn9  1  0.921  0.416  0.495  1.0
  O  O10  1  0.000  0.500  0.000  1.0
  O  O11  1  0.500  0.500  0.500  1.0
  O  O12  1  0.196  0.196  0.500  1.0
  O  O13  1  0.304  0.804  0.000  1.0
  O  O14  1  0.804  0.804  0.500  1.0
  O  O15  1  0.696  0.196  0.000  1.0
  O  O16  1  0.692  0.692  0.500  1.0
  O  O17  1  0.808  0.308  0.000  1.0
  O  O18  1  0.308  0.308  0.500  1.0
  O  O19  1  0.192  0.692  0.000  1.0
  O  O20  1  0.847  0.332  0.485  1.0
  O  O21  1  0.153  0.668  0.515  1.0
  O  O22  1  0.653  0.138  0.485  1.0
  O  O23  1  0.347  0.862  0.515  1.0
[/CIF]
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The compound described by Sr2YMn2O7 crystallizes in the orthorhombic Imma space group. Sr(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form distorted SrO6 pentagonal pyramids that share corners with six equivalent Sr(1)O6 pentagonal pyramids, corners with four equivalent Mn(1)O5 trigonal bipyramids, edges with three equivalent Sr(1)O6 pentagonal pyramids, and faces with two equivalent Sr(1)O6 pentagonal pyramids. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. Mn(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share corners with four equivalent Sr(1)O6 pentagonal pyramids and corners with four equivalent Mn(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Sr(1) atoms. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OY2Mn2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Y(1) and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OY2Mn2 tetrahedra. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2YMn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.317
_cell_length_b   13.317
_cell_length_c   13.317
_cell_angle_alpha   157.197
_cell_angle_beta   156.995
_cell_angle_gamma   32.615
_symmetry_Int_Tables_number   1
_cell_volume   357.431
_cell_formula_units_Z   2
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  0.821  0.778  0.957  1.0
  Sr  Sr1  1  0.179  0.222  0.043  1.0
  Sr  Sr2  1  0.679  0.635  0.957  1.0
  Sr  Sr3  1  0.321  0.365  0.043  1.0
  Y  Y4  1  0.500  0.500  0.000  1.0
  Y  Y5  1  0.000  0.000  0.000  1.0
  Mn  Mn6  1  0.421  0.926  0.505  1.0
  Mn  Mn7  1  0.579  0.074  0.495  1.0
  Mn  Mn8  1  0.079  0.584  0.505  1.0
  Mn  Mn9  1  0.921  0.416  0.495  1.0
  O  O10  1  0.000  0.500  0.000  1.0
  O  O11  1  0.500  0.500  0.500  1.0
  O  O12  1  0.196  0.196  0.500  1.0
  O  O13  1  0.304  0.804  0.000  1.0
  O  O14  1  0.804  0.804  0.500  1.0
  O  O15  1  0.696  0.196  0.000  1.0
  O  O16  1  0.692  0.692  0.500  1.0
  O  O17  1  0.808  0.308  0.000  1.0
  O  O18  1  0.308  0.308  0.500  1.0
  O  O19  1  0.192  0.692  0.000  1.0
  O  O20  1  0.847  0.332  0.485  1.0
  O  O21  1  0.153  0.668  0.515  1.0
  O  O22  1  0.653  0.138  0.485  1.0
  O  O23  1  0.347  0.862  0.515  1.0
[/CIF]
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