The compound described by Sr2MnGaO5 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), three equivalent O(2), and four equivalent O(3) atoms. Mn(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 6°. Ga(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form GaO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and two equivalent Ga(1) atoms to form distorted OSr2Ga2 tetrahedra that share corners with eight equivalent O(3)Sr4Mn2 octahedra and corners with two equivalent O(1)Sr2Ga2 tetrahedra. The corner-sharing octahedral tilt angles range from 20-74°. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Mn(1), and one Ga(1) atom. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Mn(1) atoms to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(3)Sr4Mn2 octahedra, corners with four equivalent O(1)Sr2Ga2 tetrahedra, edges with two equivalent O(3)Sr4Mn2 octahedra, and faces with four equivalent O(3)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the CIF card [CIF]
data_Sr2MnGaO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.443
_cell_length_b   5.614
_cell_length_c   9.058
_cell_angle_alpha   108.056
_cell_angle_beta   107.486
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   249.680
_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
  Ga  Ga0  1  0.717  0.682  0.500  1.0
  Ga  Ga1  1  0.217  0.318  0.500  1.0
  Mn  Mn2  1  0.005  1.000  1.000  1.0
  Mn  Mn3  1  0.505  0.500  1.000  1.0
  O  O4  1  0.370  0.623  0.500  1.0
  O  O5  1  0.870  0.377  0.500  1.0
  O  O6  1  0.672  0.695  0.292  1.0
  O  O7  1  0.380  0.305  0.708  1.0
  O  O8  1  0.172  0.096  0.292  1.0
  O  O9  1  0.880  0.904  0.708  1.0
  O  O10  1  0.747  0.746  0.987  1.0
  O  O11  1  0.760  0.254  0.013  1.0
  O  O12  1  0.260  0.258  0.013  1.0
  O  O13  1  0.247  0.742  0.987  1.0
  Sr  Sr14  1  0.889  0.371  0.775  1.0
  Sr  Sr15  1  0.389  0.904  0.775  1.0
  Sr  Sr16  1  0.114  0.629  0.225  1.0
  Sr  Sr17  1  0.614  0.096  0.225  1.0
[/CIF]
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The compound described by Sr2MnGaO5 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), three equivalent O(2), and four equivalent O(3) atoms. Mn(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 6°. Ga(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form GaO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and two equivalent Ga(1) atoms to form distorted OSr2Ga2 tetrahedra that share corners with eight equivalent O(3)Sr4Mn2 octahedra and corners with two equivalent O(1)Sr2Ga2 tetrahedra. The corner-sharing octahedral tilt angles range from 20-74°. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Mn(1), and one Ga(1) atom. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Mn(1) atoms to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(3)Sr4Mn2 octahedra, corners with four equivalent O(1)Sr2Ga2 tetrahedra, edges with two equivalent O(3)Sr4Mn2 octahedra, and faces with four equivalent O(3)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the CIF card [CIF]
data_Sr2MnGaO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.443
_cell_length_b   5.614
_cell_length_c   9.058
_cell_angle_alpha   108.056
_cell_angle_beta   107.486
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   249.680
_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
  Ga  Ga0  1  0.717  0.682  0.500  1.0
  Ga  Ga1  1  0.217  0.318  0.500  1.0
  Mn  Mn2  1  0.005  1.000  1.000  1.0
  Mn  Mn3  1  0.505  0.500  1.000  1.0
  O  O4  1  0.370  0.623  0.500  1.0
  O  O5  1  0.870  0.377  0.500  1.0
  O  O6  1  0.672  0.695  0.292  1.0
  O  O7  1  0.380  0.305  0.708  1.0
  O  O8  1  0.172  0.096  0.292  1.0
  O  O9  1  0.880  0.904  0.708  1.0
  O  O10  1  0.747  0.746  0.987  1.0
  O  O11  1  0.760  0.254  0.013  1.0
  O  O12  1  0.260  0.258  0.013  1.0
  O  O13  1  0.247  0.742  0.987  1.0
  Sr  Sr14  1  0.889  0.371  0.775  1.0
  Sr  Sr15  1  0.389  0.904  0.775  1.0
  Sr  Sr16  1  0.114  0.629  0.225  1.0
  Sr  Sr17  1  0.614  0.096  0.225  1.0
[/CIF]
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