The crystal structure described by BaSrMn2O6 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Mn(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. Sr(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Mn(1)O6 octahedra. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Mn(1)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and  a faceface with one Mn(1)O6 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 distorted linear geometry to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted L-shaped geometry to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSrMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.646
_cell_length_b   9.276
_cell_length_c   5.646
_cell_angle_alpha   90.000
_cell_angle_beta   120.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.083
_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
  Ba  Ba0  1  1.000  0.500  1.000  1.0
  Ba  Ba1  1  1.000  1.000  0.000  1.0
  Sr  Sr2  1  0.667  0.750  0.333  1.0
  Sr  Sr3  1  0.333  0.250  0.667  1.0
  Mn  Mn4  1  0.333  0.888  0.667  1.0
  Mn  Mn5  1  0.333  0.612  0.667  1.0
  Mn  Mn6  1  0.667  0.112  0.333  1.0
  Mn  Mn7  1  0.667  0.388  0.333  1.0
  O  O8  1  0.500  0.500  0.500  1.0
  O  O9  1  0.500  0.500  0.000  1.0
  O  O10  1  1.000  0.500  0.500  1.0
  O  O11  1  0.500  0.000  0.500  1.0
  O  O12  1  0.500  0.000  0.000  1.0
  O  O13  1  1.000  0.000  0.500  1.0
  O  O14  1  0.185  0.750  0.815  1.0
  O  O15  1  0.185  0.750  0.370  1.0
  O  O16  1  0.630  0.750  0.815  1.0
  O  O17  1  0.815  0.250  0.185  1.0
  O  O18  1  0.815  0.250  0.630  1.0
  O  O19  1  0.370  0.250  0.185  1.0
[/CIF]
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The crystal structure described by BaSrMn2O6 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Mn(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. Sr(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Mn(1)O6 octahedra. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Mn(1)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and  a faceface with one Mn(1)O6 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 distorted linear geometry to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted L-shaped geometry to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSrMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.646
_cell_length_b   9.276
_cell_length_c   5.646
_cell_angle_alpha   90.000
_cell_angle_beta   120.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.083
_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
  Ba  Ba0  1  1.000  0.500  1.000  1.0
  Ba  Ba1  1  1.000  1.000  0.000  1.0
  Sr  Sr2  1  0.667  0.750  0.333  1.0
  Sr  Sr3  1  0.333  0.250  0.667  1.0
  Mn  Mn4  1  0.333  0.888  0.667  1.0
  Mn  Mn5  1  0.333  0.612  0.667  1.0
  Mn  Mn6  1  0.667  0.112  0.333  1.0
  Mn  Mn7  1  0.667  0.388  0.333  1.0
  O  O8  1  0.500  0.500  0.500  1.0
  O  O9  1  0.500  0.500  0.000  1.0
  O  O10  1  1.000  0.500  0.500  1.0
  O  O11  1  0.500  0.000  0.500  1.0
  O  O12  1  0.500  0.000  0.000  1.0
  O  O13  1  1.000  0.000  0.500  1.0
  O  O14  1  0.185  0.750  0.815  1.0
  O  O15  1  0.185  0.750  0.370  1.0
  O  O16  1  0.630  0.750  0.815  1.0
  O  O17  1  0.815  0.250  0.185  1.0
  O  O18  1  0.815  0.250  0.630  1.0
  O  O19  1  0.370  0.250  0.185  1.0
[/CIF]
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