The material described by ScZrB4 crystallizes in the cubic F-43m space group. Sc(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent B(1) atoms. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Sc(1) and twelve equivalent B(1) atoms. B(1) is bonded in a distorted q6 geometry to three equivalent Sc(1), three equivalent Zr(1), and three equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrScB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.473
_cell_length_b   4.473
_cell_length_c   4.473
_cell_angle_alpha   90.000
_cell_angle_beta   60.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   63.273
_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
  Zr  Zr0  1  0.000  0.000  0.000  1.0
  Sc  Sc1  1  0.500  0.750  0.750  1.0
  B  B2  1  0.797  0.398  0.805  1.0
  B  B3  1  0.203  0.398  0.398  1.0
  B  B4  1  0.203  0.805  0.398  1.0
  B  B5  1  0.797  0.398  0.398  1.0
[/CIF]
.
The material described by ScZrB4 crystallizes in the cubic F-43m space group. Sc(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent B(1) atoms. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Sc(1) and twelve equivalent B(1) atoms. B(1) is bonded in a distorted q6 geometry to three equivalent Sc(1), three equivalent Zr(1), and three equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrScB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.473
_cell_length_b   4.473
_cell_length_c   4.473
_cell_angle_alpha   90.000
_cell_angle_beta   60.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   63.273
_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
  Zr  Zr0  1  0.000  0.000  0.000  1.0
  Sc  Sc1  1  0.500  0.750  0.750  1.0
  B  B2  1  0.797  0.398  0.805  1.0
  B  B3  1  0.203  0.398  0.398  1.0
  B  B4  1  0.203  0.805  0.398  1.0
  B  B5  1  0.797  0.398  0.398  1.0
[/CIF]
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