The material described by ZrMoB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. Zr(1) is bonded to twelve equivalent B(1) atoms to form ZrB12 cuboctahedra that share edges with twelve equivalent Mo(1)B12 cuboctahedra, faces with two equivalent Mo(1)B12 cuboctahedra, and faces with six equivalent Zr(1)B12 cuboctahedra. Mo(1) is bonded to twelve equivalent B(1) atoms to form MoB12 cuboctahedra that share edges with twelve equivalent Zr(1)B12 cuboctahedra, faces with two equivalent Zr(1)B12 cuboctahedra, and faces with six equivalent Mo(1)B12 cuboctahedra. B(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1), three equivalent Mo(1), and three equivalent B(1) atoms. is represented by the CIF card [CIF]
data_ZrB4Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.132
_cell_length_b   3.132
_cell_length_c   6.750
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   57.348
_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  0.500  1.0
  B  B1  1  0.667  0.333  0.761  1.0
  B  B2  1  0.667  0.333  0.239  1.0
  B  B3  1  0.333  0.667  0.761  1.0
  B  B4  1  0.333  0.667  0.239  1.0
  Mo  Mo5  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by ZrMoB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. Zr(1) is bonded to twelve equivalent B(1) atoms to form ZrB12 cuboctahedra that share edges with twelve equivalent Mo(1)B12 cuboctahedra, faces with two equivalent Mo(1)B12 cuboctahedra, and faces with six equivalent Zr(1)B12 cuboctahedra. Mo(1) is bonded to twelve equivalent B(1) atoms to form MoB12 cuboctahedra that share edges with twelve equivalent Zr(1)B12 cuboctahedra, faces with two equivalent Zr(1)B12 cuboctahedra, and faces with six equivalent Mo(1)B12 cuboctahedra. B(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1), three equivalent Mo(1), and three equivalent B(1) atoms. is represented by the CIF card [CIF]
data_ZrB4Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.132
_cell_length_b   3.132
_cell_length_c   6.750
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   57.348
_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  0.500  1.0
  B  B1  1  0.667  0.333  0.761  1.0
  B  B2  1  0.667  0.333  0.239  1.0
  B  B3  1  0.333  0.667  0.761  1.0
  B  B4  1  0.333  0.667  0.239  1.0
  Mo  Mo5  1  0.000  0.000  0.000  1.0
[/CIF]
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