The material structure described by Y3ReB7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 9-coordinate geometry to two equivalent B(1), two equivalent B(2), two equivalent B(3), and three equivalent B(4) atoms. In the second Y site, Y(2) is bonded in a 15-coordinate geometry to one Re(1), two equivalent B(3), four equivalent B(1), four equivalent B(2), and four equivalent B(4) atoms. Re(1) is bonded in a 5-coordinate geometry to one Y(2), one B(3), and four equivalent B(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to two equivalent Y(1), two equivalent Y(2), one B(1), one B(4), and two equivalent B(2) atoms. In the second B site, B(2) is bonded to two equivalent Y(1), two equivalent Y(2), one B(3), and two equivalent B(1) atoms to form a mixture of distorted edge, face, and corner-sharing BY4B3 pentagonal bipyramids. In the third B site, B(3) is bonded in a 7-coordinate geometry to two equivalent Y(2), four equivalent Y(1), one Re(1), and two equivalent B(2) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Y(2), three equivalent Y(1), two equivalent Re(1), one B(1), and one B(4) atom. is represented by the CIF card [CIF]
data_Y3ReB7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.763
_cell_length_b   7.763
_cell_length_c   10.081
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   152.622
_symmetry_Int_Tables_number   1
_cell_volume   279.368
_cell_formula_units_Z   2
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
  Y  Y0  1  0.166  0.834  0.943  1.0
  Y  Y1  1  0.027  0.973  0.250  1.0
  Y  Y2  1  0.834  0.166  0.057  1.0
  Y  Y3  1  0.973  0.027  0.750  1.0
  Y  Y4  1  0.166  0.834  0.557  1.0
  Y  Y5  1  0.834  0.166  0.443  1.0
  Re  Re6  1  0.777  0.223  0.750  1.0
  Re  Re7  1  0.223  0.777  0.250  1.0
  B  B8  1  0.450  0.550  0.946  1.0
  B  B9  1  0.447  0.553  0.116  1.0
  B  B10  1  0.621  0.379  0.750  1.0
  B  B11  1  0.346  0.654  0.660  1.0
  B  B12  1  0.379  0.621  0.250  1.0
  B  B13  1  0.553  0.447  0.616  1.0
  B  B14  1  0.654  0.346  0.160  1.0
  B  B15  1  0.550  0.450  0.446  1.0
  B  B16  1  0.654  0.346  0.340  1.0
  B  B17  1  0.550  0.450  0.054  1.0
  B  B18  1  0.553  0.447  0.884  1.0
  B  B19  1  0.346  0.654  0.840  1.0
  B  B20  1  0.447  0.553  0.384  1.0
  B  B21  1  0.450  0.550  0.554  1.0
[/CIF]
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The material structure described by Y3ReB7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 9-coordinate geometry to two equivalent B(1), two equivalent B(2), two equivalent B(3), and three equivalent B(4) atoms. In the second Y site, Y(2) is bonded in a 15-coordinate geometry to one Re(1), two equivalent B(3), four equivalent B(1), four equivalent B(2), and four equivalent B(4) atoms. Re(1) is bonded in a 5-coordinate geometry to one Y(2), one B(3), and four equivalent B(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to two equivalent Y(1), two equivalent Y(2), one B(1), one B(4), and two equivalent B(2) atoms. In the second B site, B(2) is bonded to two equivalent Y(1), two equivalent Y(2), one B(3), and two equivalent B(1) atoms to form a mixture of distorted edge, face, and corner-sharing BY4B3 pentagonal bipyramids. In the third B site, B(3) is bonded in a 7-coordinate geometry to two equivalent Y(2), four equivalent Y(1), one Re(1), and two equivalent B(2) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Y(2), three equivalent Y(1), two equivalent Re(1), one B(1), and one B(4) atom. is represented by the CIF card [CIF]
data_Y3ReB7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.763
_cell_length_b   7.763
_cell_length_c   10.081
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   152.622
_symmetry_Int_Tables_number   1
_cell_volume   279.368
_cell_formula_units_Z   2
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
  Y  Y0  1  0.166  0.834  0.943  1.0
  Y  Y1  1  0.027  0.973  0.250  1.0
  Y  Y2  1  0.834  0.166  0.057  1.0
  Y  Y3  1  0.973  0.027  0.750  1.0
  Y  Y4  1  0.166  0.834  0.557  1.0
  Y  Y5  1  0.834  0.166  0.443  1.0
  Re  Re6  1  0.777  0.223  0.750  1.0
  Re  Re7  1  0.223  0.777  0.250  1.0
  B  B8  1  0.450  0.550  0.946  1.0
  B  B9  1  0.447  0.553  0.116  1.0
  B  B10  1  0.621  0.379  0.750  1.0
  B  B11  1  0.346  0.654  0.660  1.0
  B  B12  1  0.379  0.621  0.250  1.0
  B  B13  1  0.553  0.447  0.616  1.0
  B  B14  1  0.654  0.346  0.160  1.0
  B  B15  1  0.550  0.450  0.446  1.0
  B  B16  1  0.654  0.346  0.340  1.0
  B  B17  1  0.550  0.450  0.054  1.0
  B  B18  1  0.553  0.447  0.884  1.0
  B  B19  1  0.346  0.654  0.840  1.0
  B  B20  1  0.447  0.553  0.384  1.0
  B  B21  1  0.450  0.550  0.554  1.0
[/CIF]
.