The compound described by CaEuHf4O12 crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. Eu(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(5) 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 23-35°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Eu(1) and two equivalent Hf(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Eu(1) and two equivalent Hf(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1) and two equivalent Hf(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ca(1) and two equivalent Hf(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Eu(1) and two equivalent Hf(1) atoms. is represented by the CIF file [CIF]
data_CaEuHf4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.614
_cell_length_b   5.614
_cell_length_c   8.023
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.418
_symmetry_Int_Tables_number   1
_cell_volume   252.812
_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
  Ca  Ca0  1  0.482  0.518  0.000  1.0
  Eu  Eu1  1  0.029  0.971  0.500  1.0
  Hf  Hf2  1  0.499  0.999  0.251  1.0
  Hf  Hf3  1  0.499  0.999  0.749  1.0
  Hf  Hf4  1  0.001  0.501  0.749  1.0
  Hf  Hf5  1  0.001  0.501  0.251  1.0
  O  O6  1  0.197  0.198  0.249  1.0
  O  O7  1  0.802  0.803  0.249  1.0
  O  O8  1  0.802  0.803  0.751  1.0
  O  O9  1  0.197  0.198  0.751  1.0
  O  O10  1  0.304  0.696  0.304  1.0
  O  O11  1  0.696  0.304  0.196  1.0
  O  O12  1  0.696  0.304  0.804  1.0
  O  O13  1  0.304  0.696  0.696  1.0
  O  O14  1  0.450  0.939  0.000  1.0
  O  O15  1  0.549  0.061  0.500  1.0
  O  O16  1  0.061  0.550  0.000  1.0
  O  O17  1  0.939  0.451  0.500  1.0
[/CIF]
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The compound described by CaEuHf4O12 crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. Eu(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(5) 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 23-35°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Eu(1) and two equivalent Hf(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Eu(1) and two equivalent Hf(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1) and two equivalent Hf(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ca(1) and two equivalent Hf(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Eu(1) and two equivalent Hf(1) atoms. is represented by the CIF file [CIF]
data_CaEuHf4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.614
_cell_length_b   5.614
_cell_length_c   8.023
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.418
_symmetry_Int_Tables_number   1
_cell_volume   252.812
_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
  Ca  Ca0  1  0.482  0.518  0.000  1.0
  Eu  Eu1  1  0.029  0.971  0.500  1.0
  Hf  Hf2  1  0.499  0.999  0.251  1.0
  Hf  Hf3  1  0.499  0.999  0.749  1.0
  Hf  Hf4  1  0.001  0.501  0.749  1.0
  Hf  Hf5  1  0.001  0.501  0.251  1.0
  O  O6  1  0.197  0.198  0.249  1.0
  O  O7  1  0.802  0.803  0.249  1.0
  O  O8  1  0.802  0.803  0.751  1.0
  O  O9  1  0.197  0.198  0.751  1.0
  O  O10  1  0.304  0.696  0.304  1.0
  O  O11  1  0.696  0.304  0.196  1.0
  O  O12  1  0.696  0.304  0.804  1.0
  O  O13  1  0.304  0.696  0.696  1.0
  O  O14  1  0.450  0.939  0.000  1.0
  O  O15  1  0.549  0.061  0.500  1.0
  O  O16  1  0.061  0.550  0.000  1.0
  O  O17  1  0.939  0.451  0.500  1.0
[/CIF]
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