The structure described by DyB4 crystallizes in the tetragonal P4/mbm space group. Dy(1) is bonded in a 18-coordinate geometry to four equivalent B(2), six equivalent B(3), and eight equivalent B(1) atoms. There are three inequivalent B sites. In the first B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Dy(1), one B(2), and four equivalent B(1) atoms. In the second B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Dy(1), one B(3), two equivalent B(1), and two equivalent B(2) atoms. In the third B site, B(3) is bonded in a distorted trigonal planar geometry to six equivalent Dy(1), one B(3), and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.013
_cell_length_b   7.093
_cell_length_c   7.093
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   201.857
_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
  Dy  Dy0  1  0.000  0.682  0.182  1.0
  Dy  Dy1  1  0.000  0.818  0.682  1.0
  Dy  Dy2  1  0.000  0.182  0.318  1.0
  Dy  Dy3  1  0.000  0.318  0.818  1.0
  B  B4  1  0.500  0.462  0.324  1.0
  B  B5  1  0.500  0.538  0.676  1.0
  B  B6  1  0.500  0.324  0.538  1.0
  B  B7  1  0.500  0.676  0.462  1.0
  B  B8  1  0.203  0.000  0.000  1.0
  B  B9  1  0.797  0.500  0.500  1.0
  B  B10  1  0.797  0.000  0.000  1.0
  B  B11  1  0.203  0.500  0.500  1.0
  B  B12  1  0.500  0.087  0.587  1.0
  B  B13  1  0.500  0.413  0.087  1.0
  B  B14  1  0.500  0.587  0.913  1.0
  B  B15  1  0.500  0.913  0.413  1.0
  B  B16  1  0.500  0.176  0.038  1.0
  B  B17  1  0.500  0.962  0.176  1.0
  B  B18  1  0.500  0.038  0.824  1.0
  B  B19  1  0.500  0.824  0.962  1.0
[/CIF]
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The structure described by DyB4 crystallizes in the tetragonal P4/mbm space group. Dy(1) is bonded in a 18-coordinate geometry to four equivalent B(2), six equivalent B(3), and eight equivalent B(1) atoms. There are three inequivalent B sites. In the first B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Dy(1), one B(2), and four equivalent B(1) atoms. In the second B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Dy(1), one B(3), two equivalent B(1), and two equivalent B(2) atoms. In the third B site, B(3) is bonded in a distorted trigonal planar geometry to six equivalent Dy(1), one B(3), and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.013
_cell_length_b   7.093
_cell_length_c   7.093
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   201.857
_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
  Dy  Dy0  1  0.000  0.682  0.182  1.0
  Dy  Dy1  1  0.000  0.818  0.682  1.0
  Dy  Dy2  1  0.000  0.182  0.318  1.0
  Dy  Dy3  1  0.000  0.318  0.818  1.0
  B  B4  1  0.500  0.462  0.324  1.0
  B  B5  1  0.500  0.538  0.676  1.0
  B  B6  1  0.500  0.324  0.538  1.0
  B  B7  1  0.500  0.676  0.462  1.0
  B  B8  1  0.203  0.000  0.000  1.0
  B  B9  1  0.797  0.500  0.500  1.0
  B  B10  1  0.797  0.000  0.000  1.0
  B  B11  1  0.203  0.500  0.500  1.0
  B  B12  1  0.500  0.087  0.587  1.0
  B  B13  1  0.500  0.413  0.087  1.0
  B  B14  1  0.500  0.587  0.913  1.0
  B  B15  1  0.500  0.913  0.413  1.0
  B  B16  1  0.500  0.176  0.038  1.0
  B  B17  1  0.500  0.962  0.176  1.0
  B  B18  1  0.500  0.038  0.824  1.0
  B  B19  1  0.500  0.824  0.962  1.0
[/CIF]
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