The structure described by BaLaMnSnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms. La(1) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Mn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-30°. Sn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form SnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-30°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent La(1), one Mn(1), and one Sn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(1), one Mn(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one La(1), one Mn(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one La(1), one Mn(1), and one Sn(1) atom. is represented by the CIF file [CIF]
data_BaLaMnSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.698
_cell_length_b   5.714
_cell_length_c   5.807
_cell_angle_alpha   61.737
_cell_angle_beta   60.614
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   138.306
_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  0.752  0.256  0.495  1.0
  La  La1  1  0.247  0.727  0.506  1.0
  Mn  Mn2  1  0.504  0.509  0.992  1.0
  Sn  Sn3  1  0.000  0.999  1.000  1.0
  O  O4  1  0.761  0.807  0.478  1.0
  O  O5  1  0.236  0.136  0.529  1.0
  O  O6  1  0.283  0.318  0.916  1.0
  O  O7  1  0.230  0.715  0.085  1.0
  O  O8  1  0.801  0.318  0.916  1.0
  O  O9  1  0.685  0.715  0.085  1.0
[/CIF]
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The structure described by BaLaMnSnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms. La(1) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Mn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-30°. Sn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form SnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-30°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent La(1), one Mn(1), and one Sn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(1), one Mn(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one La(1), one Mn(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one La(1), one Mn(1), and one Sn(1) atom. is represented by the CIF file [CIF]
data_BaLaMnSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.698
_cell_length_b   5.714
_cell_length_c   5.807
_cell_angle_alpha   61.737
_cell_angle_beta   60.614
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   138.306
_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  0.752  0.256  0.495  1.0
  La  La1  1  0.247  0.727  0.506  1.0
  Mn  Mn2  1  0.504  0.509  0.992  1.0
  Sn  Sn3  1  0.000  0.999  1.000  1.0
  O  O4  1  0.761  0.807  0.478  1.0
  O  O5  1  0.236  0.136  0.529  1.0
  O  O6  1  0.283  0.318  0.916  1.0
  O  O7  1  0.230  0.715  0.085  1.0
  O  O8  1  0.801  0.318  0.916  1.0
  O  O9  1  0.685  0.715  0.085  1.0
[/CIF]
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