The compound described by Sr4Hf3O10 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to four equivalent O(4) and five equivalent O(2) atoms. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 0-24°. In the second Hf site, Hf(2) is bonded to one O(1), one O(2), and four equivalent O(4) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 0-22°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Hf(1) atoms. In the second O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and two equivalent Hf(2) atoms. In the third O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one Hf(1), and one Hf(2) atom. In the fourth O site, O(2) is bonded to five equivalent Sr(2) and one Hf(2) atom to form a mixture of distorted corner and edge-sharing OSr5Hf octahedra. The corner-sharing octahedral tilt angles are 7°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4Hf3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.024
_cell_length_b   15.024
_cell_length_c   5.722
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.047
_symmetry_Int_Tables_number   1
_cell_volume   482.849
_cell_formula_units_Z   2
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
  Sr  Sr0  1  0.430  0.570  0.000  1.0
  Sr  Sr1  1  0.706  0.294  0.000  1.0
  Sr  Sr2  1  0.294  0.706  0.000  1.0
  Sr  Sr3  1  0.570  0.430  0.000  1.0
  Sr  Sr4  1  0.206  0.794  0.500  1.0
  Sr  Sr5  1  0.930  0.070  0.500  1.0
  Sr  Sr6  1  0.794  0.206  0.500  1.0
  Sr  Sr7  1  0.070  0.930  0.500  1.0
  Hf  Hf8  1  0.000  0.000  0.000  1.0
  Hf  Hf9  1  0.859  0.141  0.000  1.0
  Hf  Hf10  1  0.141  0.859  0.000  1.0
  Hf  Hf11  1  0.641  0.359  0.500  1.0
  Hf  Hf12  1  0.500  0.500  0.500  1.0
  Hf  Hf13  1  0.359  0.641  0.500  1.0
  O  O14  1  0.930  0.070  0.000  1.0
  O  O15  1  0.789  0.211  0.000  1.0
  O  O16  1  0.211  0.789  0.000  1.0
  O  O17  1  0.070  0.930  0.000  1.0
  O  O18  1  0.302  0.302  0.802  1.0
  O  O19  1  0.842  0.563  0.797  1.0
  O  O20  1  0.563  0.842  0.797  1.0
  O  O21  1  0.063  0.342  0.703  1.0
  O  O22  1  0.342  0.063  0.703  1.0
  O  O23  1  0.802  0.802  0.698  1.0
  O  O24  1  0.430  0.570  0.500  1.0
  O  O25  1  0.711  0.289  0.500  1.0
  O  O26  1  0.289  0.711  0.500  1.0
  O  O27  1  0.570  0.430  0.500  1.0
  O  O28  1  0.198  0.198  0.302  1.0
  O  O29  1  0.658  0.937  0.297  1.0
  O  O30  1  0.937  0.658  0.297  1.0
  O  O31  1  0.158  0.437  0.203  1.0
  O  O32  1  0.437  0.158  0.203  1.0
  O  O33  1  0.698  0.698  0.198  1.0
[/CIF]
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The compound described by Sr4Hf3O10 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to four equivalent O(4) and five equivalent O(2) atoms. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 0-24°. In the second Hf site, Hf(2) is bonded to one O(1), one O(2), and four equivalent O(4) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 0-22°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Hf(1) atoms. In the second O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and two equivalent Hf(2) atoms. In the third O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one Hf(1), and one Hf(2) atom. In the fourth O site, O(2) is bonded to five equivalent Sr(2) and one Hf(2) atom to form a mixture of distorted corner and edge-sharing OSr5Hf octahedra. The corner-sharing octahedral tilt angles are 7°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4Hf3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.024
_cell_length_b   15.024
_cell_length_c   5.722
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.047
_symmetry_Int_Tables_number   1
_cell_volume   482.849
_cell_formula_units_Z   2
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
  Sr  Sr0  1  0.430  0.570  0.000  1.0
  Sr  Sr1  1  0.706  0.294  0.000  1.0
  Sr  Sr2  1  0.294  0.706  0.000  1.0
  Sr  Sr3  1  0.570  0.430  0.000  1.0
  Sr  Sr4  1  0.206  0.794  0.500  1.0
  Sr  Sr5  1  0.930  0.070  0.500  1.0
  Sr  Sr6  1  0.794  0.206  0.500  1.0
  Sr  Sr7  1  0.070  0.930  0.500  1.0
  Hf  Hf8  1  0.000  0.000  0.000  1.0
  Hf  Hf9  1  0.859  0.141  0.000  1.0
  Hf  Hf10  1  0.141  0.859  0.000  1.0
  Hf  Hf11  1  0.641  0.359  0.500  1.0
  Hf  Hf12  1  0.500  0.500  0.500  1.0
  Hf  Hf13  1  0.359  0.641  0.500  1.0
  O  O14  1  0.930  0.070  0.000  1.0
  O  O15  1  0.789  0.211  0.000  1.0
  O  O16  1  0.211  0.789  0.000  1.0
  O  O17  1  0.070  0.930  0.000  1.0
  O  O18  1  0.302  0.302  0.802  1.0
  O  O19  1  0.842  0.563  0.797  1.0
  O  O20  1  0.563  0.842  0.797  1.0
  O  O21  1  0.063  0.342  0.703  1.0
  O  O22  1  0.342  0.063  0.703  1.0
  O  O23  1  0.802  0.802  0.698  1.0
  O  O24  1  0.430  0.570  0.500  1.0
  O  O25  1  0.711  0.289  0.500  1.0
  O  O26  1  0.289  0.711  0.500  1.0
  O  O27  1  0.570  0.430  0.500  1.0
  O  O28  1  0.198  0.198  0.302  1.0
  O  O29  1  0.658  0.937  0.297  1.0
  O  O30  1  0.937  0.658  0.297  1.0
  O  O31  1  0.158  0.437  0.203  1.0
  O  O32  1  0.437  0.158  0.203  1.0
  O  O33  1  0.698  0.698  0.198  1.0
[/CIF]
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