The material structure described by CrRe3B4 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Imm2 space group. Cr(1) is bonded in a 7-coordinate geometry to four equivalent Re(2), one B(1), two equivalent B(4), and four equivalent B(3) atoms. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded in a 7-coordinate geometry to one B(2), two equivalent B(3), and four equivalent B(4) atoms. In the second Re site, Re(2) is bonded in a 11-coordinate geometry to four equivalent Cr(1), one B(3), two equivalent B(2), and four equivalent B(1) atoms. In the third Re site, Re(3) is bonded in a 7-coordinate geometry to one B(4), two equivalent B(1), and four equivalent B(2) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to one Cr(1), two equivalent Re(3), four equivalent Re(2), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to one Re(1), two equivalent Re(2), four equivalent Re(3), and two equivalent B(1) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Cr(1), one Re(2), two equivalent Re(1), and two equivalent B(4) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Cr(1), one Re(3), four equivalent Re(1), and two equivalent B(3) atoms. is represented by the CIF file [CIF]
data_CrRe3B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.945
_cell_length_b   8.945
_cell_length_c   8.945
_cell_angle_alpha   160.755
_cell_angle_beta   160.508
_cell_angle_gamma   27.525
_symmetry_Int_Tables_number   1
_cell_volume   78.682
_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
  Cr  Cr0  1  0.944  0.444  0.500  1.0
  Re  Re1  1  0.810  0.810  0.000  1.0
  Re  Re2  1  0.546  0.046  0.500  1.0
  Re  Re3  1  0.194  0.194  0.000  1.0
  B  B4  1  0.090  0.590  0.500  1.0
  B  B5  1  0.652  0.652  0.000  1.0
  B  B6  1  0.412  0.912  0.500  1.0
  B  B7  1  0.352  0.352  0.000  1.0
[/CIF]
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The material structure described by CrRe3B4 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Imm2 space group. Cr(1) is bonded in a 7-coordinate geometry to four equivalent Re(2), one B(1), two equivalent B(4), and four equivalent B(3) atoms. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded in a 7-coordinate geometry to one B(2), two equivalent B(3), and four equivalent B(4) atoms. In the second Re site, Re(2) is bonded in a 11-coordinate geometry to four equivalent Cr(1), one B(3), two equivalent B(2), and four equivalent B(1) atoms. In the third Re site, Re(3) is bonded in a 7-coordinate geometry to one B(4), two equivalent B(1), and four equivalent B(2) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to one Cr(1), two equivalent Re(3), four equivalent Re(2), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to one Re(1), two equivalent Re(2), four equivalent Re(3), and two equivalent B(1) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Cr(1), one Re(2), two equivalent Re(1), and two equivalent B(4) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Cr(1), one Re(3), four equivalent Re(1), and two equivalent B(3) atoms. is represented by the CIF file [CIF]
data_CrRe3B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.945
_cell_length_b   8.945
_cell_length_c   8.945
_cell_angle_alpha   160.755
_cell_angle_beta   160.508
_cell_angle_gamma   27.525
_symmetry_Int_Tables_number   1
_cell_volume   78.682
_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
  Cr  Cr0  1  0.944  0.444  0.500  1.0
  Re  Re1  1  0.810  0.810  0.000  1.0
  Re  Re2  1  0.546  0.046  0.500  1.0
  Re  Re3  1  0.194  0.194  0.000  1.0
  B  B4  1  0.090  0.590  0.500  1.0
  B  B5  1  0.652  0.652  0.000  1.0
  B  B6  1  0.412  0.912  0.500  1.0
  B  B7  1  0.352  0.352  0.000  1.0
[/CIF]
.