The crystal structure described by ReCo3B4 is delta Molybdenum Boride-derived structured and crystallizes in the monoclinic Pm space group. Re(1) is bonded in a 7-coordinate geometry to one B(2), two equivalent B(1), two equivalent B(3), and two equivalent B(4) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 7-coordinate geometry to one B(1), two equivalent B(2), two equivalent B(3), and two equivalent B(4) atoms. In the second Co site, Co(2) is bonded in a 7-coordinate geometry to one B(4), two equivalent B(1), two equivalent B(2), and two equivalent B(3) atoms. In the third Co site, Co(3) is bonded in a 7-coordinate geometry to one B(3), two equivalent B(1), two equivalent B(2), and two equivalent B(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Re(1), one Co(1), two equivalent Co(2), two equivalent Co(3), and two equivalent B(3) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to one Re(1), two equivalent Co(1), two equivalent Co(2), two equivalent Co(3), and two equivalent B(4) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Re(1), one Co(3), two equivalent Co(1), two equivalent Co(2), and two equivalent B(1) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Re(1), one Co(2), two equivalent Co(1), two equivalent Co(3), and two equivalent B(2) atoms. is represented by the CIF card [CIF]
data_Co3ReB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.032
_cell_length_b   4.126
_cell_length_c   5.415
_cell_angle_alpha   88.589
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   67.717
_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
  Co  Co0  1  0.000  0.870  0.827  1.0
  Co  Co1  1  0.500  0.372  0.680  1.0
  Co  Co2  1  0.500  0.127  0.174  1.0
  Re  Re3  1  0.000  0.631  0.321  1.0
  B  B4  1  0.000  0.128  0.480  1.0
  B  B5  1  0.000  0.367  0.955  1.0
  B  B6  1  0.500  0.900  0.550  1.0
  B  B7  1  0.500  0.606  0.014  1.0
[/CIF]
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The crystal structure described by ReCo3B4 is delta Molybdenum Boride-derived structured and crystallizes in the monoclinic Pm space group. Re(1) is bonded in a 7-coordinate geometry to one B(2), two equivalent B(1), two equivalent B(3), and two equivalent B(4) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 7-coordinate geometry to one B(1), two equivalent B(2), two equivalent B(3), and two equivalent B(4) atoms. In the second Co site, Co(2) is bonded in a 7-coordinate geometry to one B(4), two equivalent B(1), two equivalent B(2), and two equivalent B(3) atoms. In the third Co site, Co(3) is bonded in a 7-coordinate geometry to one B(3), two equivalent B(1), two equivalent B(2), and two equivalent B(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Re(1), one Co(1), two equivalent Co(2), two equivalent Co(3), and two equivalent B(3) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to one Re(1), two equivalent Co(1), two equivalent Co(2), two equivalent Co(3), and two equivalent B(4) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Re(1), one Co(3), two equivalent Co(1), two equivalent Co(2), and two equivalent B(1) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Re(1), one Co(2), two equivalent Co(1), two equivalent Co(3), and two equivalent B(2) atoms. is represented by the CIF card [CIF]
data_Co3ReB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.032
_cell_length_b   4.126
_cell_length_c   5.415
_cell_angle_alpha   88.589
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   67.717
_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
  Co  Co0  1  0.000  0.870  0.827  1.0
  Co  Co1  1  0.500  0.372  0.680  1.0
  Co  Co2  1  0.500  0.127  0.174  1.0
  Re  Re3  1  0.000  0.631  0.321  1.0
  B  B4  1  0.000  0.128  0.480  1.0
  B  B5  1  0.000  0.367  0.955  1.0
  B  B6  1  0.500  0.900  0.550  1.0
  B  B7  1  0.500  0.606  0.014  1.0
[/CIF]
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