The crystal structure described by Ba4Sr(SnO3)5 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with nine equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra,  a faceface with one Sn(2)O6 octahedra, faces with three equivalent Sn(3)O6 octahedra, and faces with four equivalent Sn(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to three equivalent O(3) and nine equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra,  a faceface with one Sn(1)O6 octahedra, faces with three equivalent Sn(2)O6 octahedra, and faces with four equivalent Sn(3)O6 octahedra. Sr(1) is bonded to six equivalent O(1) and six equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with six equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sn(3)O6 octahedra, and faces with six equivalent Sn(1)O6 octahedra. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form SnO6 octahedra that share corners with three equivalent Sn(1)O6 octahedra, corners with three equivalent Sn(3)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Sn site, Sn(2) is bonded to six equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Sn(3)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third Sn site, Sn(3) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form SnO6 octahedra that share corners with three equivalent Sn(1)O6 octahedra, corners with three equivalent Sn(2)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Ba(2), two equivalent Ba(1), one Sr(1), one Sn(1), and one Sn(3) atom to form distorted OBa3SrSn2 octahedra that share corners with five equivalent O(1)Ba2Sr2Sn2 octahedra, corners with eight equivalent O(2)Ba4Sn2 octahedra, corners with nine equivalent O(3)Ba3SrSn2 octahedra, edges with two equivalent O(1)Ba2Sr2Sn2 octahedra, edges with two equivalent O(2)Ba4Sn2 octahedra, faces with two equivalent O(1)Ba2Sr2Sn2 octahedra, faces with two equivalent O(2)Ba4Sn2 octahedra, and faces with four equivalent O(3)Ba3SrSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second O site, O(1) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Sn(1) atoms to form distorted OBa2Sr2Sn2 octahedra that share corners with six equivalent O(1)Ba2Sr2Sn2 octahedra, corners with six equivalent O(2)Ba4Sn2 octahedra, corners with ten equivalent O(3)Ba3SrSn2 octahedra, edges with four equivalent O(3)Ba3SrSn2 octahedra, faces with four equivalent O(1)Ba2Sr2Sn2 octahedra, and faces with four equivalent O(3)Ba3SrSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the third O site, O(2) is bonded to one Ba(1), three equivalent Ba(2), one Sn(2), and one Sn(3) atom to form distorted OBa4Sn2 octahedra that share corners with three equivalent O(1)Ba2Sr2Sn2 octahedra, corners with eight equivalent O(3)Ba3SrSn2 octahedra, corners with eleven equivalent O(2)Ba4Sn2 octahedra, edges with two equivalent O(3)Ba3SrSn2 octahedra, edges with two equivalent O(2)Ba4Sn2 octahedra, faces with two equivalent O(3)Ba3SrSn2 octahedra, and faces with six equivalent O(2)Ba4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Sr(SnO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.525
_cell_length_b   12.525
_cell_length_c   12.525
_cell_angle_alpha   27.272
_cell_angle_beta   27.272
_cell_angle_gamma   27.272
_symmetry_Int_Tables_number   1
_cell_volume   364.021
_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
  Ba  Ba0  1  0.400  0.400  0.400  1.0
  Ba  Ba1  1  0.800  0.800  0.800  1.0
  Ba  Ba2  1  0.200  0.200  0.200  1.0
  Ba  Ba3  1  0.600  0.600  0.600  1.0
  Sr  Sr4  1  0.000  0.000  0.000  1.0
  Sn  Sn5  1  0.300  0.300  0.300  1.0
  Sn  Sn6  1  0.500  0.500  0.500  1.0
  Sn  Sn7  1  0.900  0.900  0.900  1.0
  Sn  Sn8  1  0.700  0.700  0.700  1.0
  Sn  Sn9  1  0.100  0.100  0.100  1.0
  O  O10  1  0.500  0.500  0.000  1.0
  O  O11  1  0.700  0.700  0.200  1.0
  O  O12  1  0.100  0.100  0.602  1.0
  O  O13  1  0.900  0.900  0.398  1.0
  O  O14  1  0.300  0.300  0.800  1.0
  O  O15  1  0.602  0.100  0.100  1.0
  O  O16  1  0.800  0.300  0.300  1.0
  O  O17  1  0.200  0.700  0.700  1.0
  O  O18  1  0.000  0.500  0.500  1.0
  O  O19  1  0.398  0.900  0.900  1.0
  O  O20  1  0.100  0.602  0.100  1.0
  O  O21  1  0.300  0.800  0.300  1.0
  O  O22  1  0.700  0.200  0.700  1.0
  O  O23  1  0.500  0.000  0.500  1.0
  O  O24  1  0.900  0.398  0.900  1.0
[/CIF]
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The crystal structure described by Ba4Sr(SnO3)5 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with nine equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra,  a faceface with one Sn(2)O6 octahedra, faces with three equivalent Sn(3)O6 octahedra, and faces with four equivalent Sn(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to three equivalent O(3) and nine equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra,  a faceface with one Sn(1)O6 octahedra, faces with three equivalent Sn(2)O6 octahedra, and faces with four equivalent Sn(3)O6 octahedra. Sr(1) is bonded to six equivalent O(1) and six equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with six equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sn(3)O6 octahedra, and faces with six equivalent Sn(1)O6 octahedra. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form SnO6 octahedra that share corners with three equivalent Sn(1)O6 octahedra, corners with three equivalent Sn(3)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Sn site, Sn(2) is bonded to six equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Sn(3)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third Sn site, Sn(3) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form SnO6 octahedra that share corners with three equivalent Sn(1)O6 octahedra, corners with three equivalent Sn(2)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Ba(2), two equivalent Ba(1), one Sr(1), one Sn(1), and one Sn(3) atom to form distorted OBa3SrSn2 octahedra that share corners with five equivalent O(1)Ba2Sr2Sn2 octahedra, corners with eight equivalent O(2)Ba4Sn2 octahedra, corners with nine equivalent O(3)Ba3SrSn2 octahedra, edges with two equivalent O(1)Ba2Sr2Sn2 octahedra, edges with two equivalent O(2)Ba4Sn2 octahedra, faces with two equivalent O(1)Ba2Sr2Sn2 octahedra, faces with two equivalent O(2)Ba4Sn2 octahedra, and faces with four equivalent O(3)Ba3SrSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second O site, O(1) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Sn(1) atoms to form distorted OBa2Sr2Sn2 octahedra that share corners with six equivalent O(1)Ba2Sr2Sn2 octahedra, corners with six equivalent O(2)Ba4Sn2 octahedra, corners with ten equivalent O(3)Ba3SrSn2 octahedra, edges with four equivalent O(3)Ba3SrSn2 octahedra, faces with four equivalent O(1)Ba2Sr2Sn2 octahedra, and faces with four equivalent O(3)Ba3SrSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the third O site, O(2) is bonded to one Ba(1), three equivalent Ba(2), one Sn(2), and one Sn(3) atom to form distorted OBa4Sn2 octahedra that share corners with three equivalent O(1)Ba2Sr2Sn2 octahedra, corners with eight equivalent O(3)Ba3SrSn2 octahedra, corners with eleven equivalent O(2)Ba4Sn2 octahedra, edges with two equivalent O(3)Ba3SrSn2 octahedra, edges with two equivalent O(2)Ba4Sn2 octahedra, faces with two equivalent O(3)Ba3SrSn2 octahedra, and faces with six equivalent O(2)Ba4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Sr(SnO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.525
_cell_length_b   12.525
_cell_length_c   12.525
_cell_angle_alpha   27.272
_cell_angle_beta   27.272
_cell_angle_gamma   27.272
_symmetry_Int_Tables_number   1
_cell_volume   364.021
_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
  Ba  Ba0  1  0.400  0.400  0.400  1.0
  Ba  Ba1  1  0.800  0.800  0.800  1.0
  Ba  Ba2  1  0.200  0.200  0.200  1.0
  Ba  Ba3  1  0.600  0.600  0.600  1.0
  Sr  Sr4  1  0.000  0.000  0.000  1.0
  Sn  Sn5  1  0.300  0.300  0.300  1.0
  Sn  Sn6  1  0.500  0.500  0.500  1.0
  Sn  Sn7  1  0.900  0.900  0.900  1.0
  Sn  Sn8  1  0.700  0.700  0.700  1.0
  Sn  Sn9  1  0.100  0.100  0.100  1.0
  O  O10  1  0.500  0.500  0.000  1.0
  O  O11  1  0.700  0.700  0.200  1.0
  O  O12  1  0.100  0.100  0.602  1.0
  O  O13  1  0.900  0.900  0.398  1.0
  O  O14  1  0.300  0.300  0.800  1.0
  O  O15  1  0.602  0.100  0.100  1.0
  O  O16  1  0.800  0.300  0.300  1.0
  O  O17  1  0.200  0.700  0.700  1.0
  O  O18  1  0.000  0.500  0.500  1.0
  O  O19  1  0.398  0.900  0.900  1.0
  O  O20  1  0.100  0.602  0.100  1.0
  O  O21  1  0.300  0.800  0.300  1.0
  O  O22  1  0.700  0.200  0.700  1.0
  O  O23  1  0.500  0.000  0.500  1.0
  O  O24  1  0.900  0.398  0.900  1.0
[/CIF]
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