The material structure described by BaSr3(SnO3)4 crystallizes in the monoclinic Pm space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sn(1)O6 octahedra, and faces with four equivalent Sn(2)O6 octahedra. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. In the third Sr site, Sr(3) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form SnO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with four equivalent Sn(2)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-21°. In the second Sn site, Sn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form SnO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with four equivalent Sn(1)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-21°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one Sr(2), one Sr(3), one Sn(1), and one Sn(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(2), one Sr(3), one Sn(1), and one Sn(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one Sr(2), one Sr(3), one Sn(1), and one Sn(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(2), one Sr(3), one Sn(1), and one Sn(2) atom. In the fifth O site, O(5) 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 two equivalent O(7)Sr4Sn2 octahedra, corners with four equivalent O(5)Ba2Sr2Sn2 octahedra, and edges with four equivalent O(6)Ba2Sr2Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the sixth O site, O(6) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Sn(2) atoms to form distorted OBa2Sr2Sn2 octahedra that share corners with two equivalent O(8)Sr4Sn2 octahedra, corners with four equivalent O(6)Ba2Sr2Sn2 octahedra, and edges with four equivalent O(5)Ba2Sr2Sn2 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the seventh O site, O(7) is bonded to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Sn(1) atoms to form distorted OSr4Sn2 octahedra that share corners with two equivalent O(5)Ba2Sr2Sn2 octahedra, corners with four equivalent O(7)Sr4Sn2 octahedra, and edges with four equivalent O(8)Sr4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth O site, O(8) is bonded to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Sn(2) atoms to form distorted OSr4Sn2 octahedra that share corners with two equivalent O(6)Ba2Sr2Sn2 octahedra, corners with four equivalent O(8)Sr4Sn2 octahedra, and edges with four equivalent O(7)Sr4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. is represented by the CIF card [CIF]
data_BaSr3(SnO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.374
_cell_length_b   5.795
_cell_length_c   5.810
_cell_angle_alpha   89.859
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   281.918
_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  0.500  0.500  0.004  1.0
  Sr  Sr1  1  0.500  0.001  0.506  1.0
  Sr  Sr2  1  0.000  0.496  0.996  1.0
  Sr  Sr3  1  0.000  0.997  0.492  1.0
  Sn  Sn4  1  0.248  0.500  0.500  1.0
  Sn  Sn5  1  0.752  1.000  0.000  1.0
  Sn  Sn6  1  0.752  0.500  0.500  1.0
  Sn  Sn7  1  0.248  1.000  0.000  1.0
  O  O8  1  0.245  0.796  0.703  1.0
  O  O9  1  0.766  0.708  0.208  1.0
  O  O10  1  0.743  0.203  0.296  1.0
  O  O11  1  0.246  0.293  0.792  1.0
  O  O12  1  0.257  0.203  0.296  1.0
  O  O13  1  0.754  0.293  0.792  1.0
  O  O14  1  0.755  0.796  0.703  1.0
  O  O15  1  0.234  0.708  0.208  1.0
  O  O16  1  0.500  0.512  0.500  1.0
  O  O17  1  0.500  0.991  0.997  1.0
  O  O18  1  0.000  0.487  0.501  1.0
  O  O19  1  0.000  0.014  0.004  1.0
[/CIF]
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The material structure described by BaSr3(SnO3)4 crystallizes in the monoclinic Pm space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sn(1)O6 octahedra, and faces with four equivalent Sn(2)O6 octahedra. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. In the third Sr site, Sr(3) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form SnO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with four equivalent Sn(2)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-21°. In the second Sn site, Sn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form SnO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with four equivalent Sn(1)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-21°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one Sr(2), one Sr(3), one Sn(1), and one Sn(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(2), one Sr(3), one Sn(1), and one Sn(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one Sr(2), one Sr(3), one Sn(1), and one Sn(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(2), one Sr(3), one Sn(1), and one Sn(2) atom. In the fifth O site, O(5) 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 two equivalent O(7)Sr4Sn2 octahedra, corners with four equivalent O(5)Ba2Sr2Sn2 octahedra, and edges with four equivalent O(6)Ba2Sr2Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the sixth O site, O(6) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Sn(2) atoms to form distorted OBa2Sr2Sn2 octahedra that share corners with two equivalent O(8)Sr4Sn2 octahedra, corners with four equivalent O(6)Ba2Sr2Sn2 octahedra, and edges with four equivalent O(5)Ba2Sr2Sn2 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the seventh O site, O(7) is bonded to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Sn(1) atoms to form distorted OSr4Sn2 octahedra that share corners with two equivalent O(5)Ba2Sr2Sn2 octahedra, corners with four equivalent O(7)Sr4Sn2 octahedra, and edges with four equivalent O(8)Sr4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth O site, O(8) is bonded to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Sn(2) atoms to form distorted OSr4Sn2 octahedra that share corners with two equivalent O(6)Ba2Sr2Sn2 octahedra, corners with four equivalent O(8)Sr4Sn2 octahedra, and edges with four equivalent O(7)Sr4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. is represented by the CIF card [CIF]
data_BaSr3(SnO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.374
_cell_length_b   5.795
_cell_length_c   5.810
_cell_angle_alpha   89.859
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   281.918
_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  0.500  0.500  0.004  1.0
  Sr  Sr1  1  0.500  0.001  0.506  1.0
  Sr  Sr2  1  0.000  0.496  0.996  1.0
  Sr  Sr3  1  0.000  0.997  0.492  1.0
  Sn  Sn4  1  0.248  0.500  0.500  1.0
  Sn  Sn5  1  0.752  1.000  0.000  1.0
  Sn  Sn6  1  0.752  0.500  0.500  1.0
  Sn  Sn7  1  0.248  1.000  0.000  1.0
  O  O8  1  0.245  0.796  0.703  1.0
  O  O9  1  0.766  0.708  0.208  1.0
  O  O10  1  0.743  0.203  0.296  1.0
  O  O11  1  0.246  0.293  0.792  1.0
  O  O12  1  0.257  0.203  0.296  1.0
  O  O13  1  0.754  0.293  0.792  1.0
  O  O14  1  0.755  0.796  0.703  1.0
  O  O15  1  0.234  0.708  0.208  1.0
  O  O16  1  0.500  0.512  0.500  1.0
  O  O17  1  0.500  0.991  0.997  1.0
  O  O18  1  0.000  0.487  0.501  1.0
  O  O19  1  0.000  0.014  0.004  1.0
[/CIF]
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