The crystal structure described by BaSrBi3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pnna space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent Bi(1) and eight equivalent Bi(2) atoms. Sr(1) is bonded in a 8-coordinate geometry to four equivalent Bi(1) and four equivalent Bi(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to two equivalent Ba(1), four equivalent Sr(1), and two equivalent Bi(2) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to four equivalent Ba(1), two equivalent Sr(1), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_BaSrBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.848
_cell_length_b   7.012
_cell_length_c   15.741
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   755.869
_cell_formula_units_Z   4
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  0.549  0.500  0.250  1.0
  Ba  Ba1  1  0.451  0.500  0.750  1.0
  Ba  Ba2  1  0.951  0.000  0.250  1.0
  Ba  Ba3  1  0.049  0.000  0.750  1.0
  Sr  Sr4  1  0.750  0.750  0.999  1.0
  Sr  Sr5  1  0.250  0.250  0.001  1.0
  Sr  Sr6  1  0.750  0.250  0.501  1.0
  Sr  Sr7  1  0.250  0.750  0.499  1.0
  Bi  Bi8  1  0.750  0.750  0.436  1.0
  Bi  Bi9  1  0.250  0.250  0.564  1.0
  Bi  Bi10  1  0.750  0.250  0.064  1.0
  Bi  Bi11  1  0.250  0.750  0.936  1.0
  Bi  Bi12  1  0.066  0.552  0.152  1.0
  Bi  Bi13  1  0.934  0.448  0.848  1.0
  Bi  Bi14  1  0.066  0.448  0.348  1.0
  Bi  Bi15  1  0.434  0.052  0.348  1.0
  Bi  Bi16  1  0.934  0.552  0.652  1.0
  Bi  Bi17  1  0.566  0.948  0.652  1.0
  Bi  Bi18  1  0.434  0.948  0.152  1.0
  Bi  Bi19  1  0.566  0.052  0.848  1.0
[/CIF]
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The crystal structure described by BaSrBi3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pnna space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent Bi(1) and eight equivalent Bi(2) atoms. Sr(1) is bonded in a 8-coordinate geometry to four equivalent Bi(1) and four equivalent Bi(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to two equivalent Ba(1), four equivalent Sr(1), and two equivalent Bi(2) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to four equivalent Ba(1), two equivalent Sr(1), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_BaSrBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.848
_cell_length_b   7.012
_cell_length_c   15.741
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   755.869
_cell_formula_units_Z   4
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  0.549  0.500  0.250  1.0
  Ba  Ba1  1  0.451  0.500  0.750  1.0
  Ba  Ba2  1  0.951  0.000  0.250  1.0
  Ba  Ba3  1  0.049  0.000  0.750  1.0
  Sr  Sr4  1  0.750  0.750  0.999  1.0
  Sr  Sr5  1  0.250  0.250  0.001  1.0
  Sr  Sr6  1  0.750  0.250  0.501  1.0
  Sr  Sr7  1  0.250  0.750  0.499  1.0
  Bi  Bi8  1  0.750  0.750  0.436  1.0
  Bi  Bi9  1  0.250  0.250  0.564  1.0
  Bi  Bi10  1  0.750  0.250  0.064  1.0
  Bi  Bi11  1  0.250  0.750  0.936  1.0
  Bi  Bi12  1  0.066  0.552  0.152  1.0
  Bi  Bi13  1  0.934  0.448  0.848  1.0
  Bi  Bi14  1  0.066  0.448  0.348  1.0
  Bi  Bi15  1  0.434  0.052  0.348  1.0
  Bi  Bi16  1  0.934  0.552  0.652  1.0
  Bi  Bi17  1  0.566  0.948  0.652  1.0
  Bi  Bi18  1  0.434  0.948  0.152  1.0
  Bi  Bi19  1  0.566  0.052  0.848  1.0
[/CIF]
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