The material structure described by BaHf4SnO12 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(4) atoms. Hf(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 14-50°. Sn(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ba(1) and two equivalent Hf(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1) and two equivalent Hf(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Hf(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) and two equivalent Hf(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Hf(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_BaHf4SnO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.707
_cell_length_b   5.707
_cell_length_c   8.240
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.693
_symmetry_Int_Tables_number   1
_cell_volume   268.357
_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  0.478  0.522  0.000  1.0
  Hf  Hf1  1  0.504  0.003  0.252  1.0
  Hf  Hf2  1  0.504  0.003  0.748  1.0
  Hf  Hf3  1  0.997  0.496  0.748  1.0
  Hf  Hf4  1  0.997  0.496  0.252  1.0
  Sn  Sn5  1  0.025  0.975  0.500  1.0
  O  O6  1  0.295  0.294  0.247  1.0
  O  O7  1  0.706  0.705  0.247  1.0
  O  O8  1  0.706  0.705  0.753  1.0
  O  O9  1  0.295  0.294  0.753  1.0
  O  O10  1  0.218  0.782  0.230  1.0
  O  O11  1  0.834  0.166  0.330  1.0
  O  O12  1  0.834  0.166  0.670  1.0
  O  O13  1  0.218  0.782  0.770  1.0
  O  O14  1  0.537  0.033  0.000  1.0
  O  O15  1  0.381  0.002  0.500  1.0
  O  O16  1  0.967  0.463  0.000  1.0
  O  O17  1  0.998  0.619  0.500  1.0
[/CIF]
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The material structure described by BaHf4SnO12 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(4) atoms. Hf(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 14-50°. Sn(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ba(1) and two equivalent Hf(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1) and two equivalent Hf(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Hf(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) and two equivalent Hf(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Hf(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_BaHf4SnO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.707
_cell_length_b   5.707
_cell_length_c   8.240
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.693
_symmetry_Int_Tables_number   1
_cell_volume   268.357
_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  0.478  0.522  0.000  1.0
  Hf  Hf1  1  0.504  0.003  0.252  1.0
  Hf  Hf2  1  0.504  0.003  0.748  1.0
  Hf  Hf3  1  0.997  0.496  0.748  1.0
  Hf  Hf4  1  0.997  0.496  0.252  1.0
  Sn  Sn5  1  0.025  0.975  0.500  1.0
  O  O6  1  0.295  0.294  0.247  1.0
  O  O7  1  0.706  0.705  0.247  1.0
  O  O8  1  0.706  0.705  0.753  1.0
  O  O9  1  0.295  0.294  0.753  1.0
  O  O10  1  0.218  0.782  0.230  1.0
  O  O11  1  0.834  0.166  0.330  1.0
  O  O12  1  0.834  0.166  0.670  1.0
  O  O13  1  0.218  0.782  0.770  1.0
  O  O14  1  0.537  0.033  0.000  1.0
  O  O15  1  0.381  0.002  0.500  1.0
  O  O16  1  0.967  0.463  0.000  1.0
  O  O17  1  0.998  0.619  0.500  1.0
[/CIF]
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