The material described by W2Ir3B5 crystallizes in the orthorhombic Imm2 space group. W(1) is bonded in a 6-coordinate geometry to three equivalent B(1) and three equivalent B(2) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted L-shaped geometry to two equivalent B(3) atoms. In the second Ir site, Ir(2) is bonded in a 4-coordinate geometry to one B(1), one B(2), and two equivalent B(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to three equivalent W(1), one Ir(2), and three equivalent B(2) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to three equivalent W(1), one Ir(2), and three equivalent B(1) atoms. In the third B site, B(3) is bonded in a 6-coordinate geometry to two equivalent Ir(1) and four equivalent Ir(2) atoms. is represented by the CIF card [CIF]
data_B5Ir3W2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.335
_cell_length_b   8.336
_cell_length_c   8.335
_cell_angle_alpha   160.072
_cell_angle_beta   147.181
_cell_angle_gamma   38.689
_symmetry_Int_Tables_number   1
_cell_volume   106.830
_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
  B  B0  1  0.520  0.221  0.300  1.0
  B  B1  1  0.079  0.779  0.300  1.0
  B  B2  1  0.922  0.222  0.700  1.0
  B  B3  1  0.479  0.778  0.700  1.0
  B  B4  1  0.655  0.500  0.155  1.0
  Ir  Ir5  1  0.998  1.000  0.998  1.0
  Ir  Ir6  1  0.405  0.905  0.500  1.0
  Ir  Ir7  1  0.595  0.095  0.500  1.0
  W  W8  1  0.151  0.652  0.500  1.0
  W  W9  1  0.848  0.348  0.499  1.0
[/CIF]
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The material described by W2Ir3B5 crystallizes in the orthorhombic Imm2 space group. W(1) is bonded in a 6-coordinate geometry to three equivalent B(1) and three equivalent B(2) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted L-shaped geometry to two equivalent B(3) atoms. In the second Ir site, Ir(2) is bonded in a 4-coordinate geometry to one B(1), one B(2), and two equivalent B(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to three equivalent W(1), one Ir(2), and three equivalent B(2) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to three equivalent W(1), one Ir(2), and three equivalent B(1) atoms. In the third B site, B(3) is bonded in a 6-coordinate geometry to two equivalent Ir(1) and four equivalent Ir(2) atoms. is represented by the CIF card [CIF]
data_B5Ir3W2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.335
_cell_length_b   8.336
_cell_length_c   8.335
_cell_angle_alpha   160.072
_cell_angle_beta   147.181
_cell_angle_gamma   38.689
_symmetry_Int_Tables_number   1
_cell_volume   106.830
_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
  B  B0  1  0.520  0.221  0.300  1.0
  B  B1  1  0.079  0.779  0.300  1.0
  B  B2  1  0.922  0.222  0.700  1.0
  B  B3  1  0.479  0.778  0.700  1.0
  B  B4  1  0.655  0.500  0.155  1.0
  Ir  Ir5  1  0.998  1.000  0.998  1.0
  Ir  Ir6  1  0.405  0.905  0.500  1.0
  Ir  Ir7  1  0.595  0.095  0.500  1.0
  W  W8  1  0.151  0.652  0.500  1.0
  W  W9  1  0.848  0.348  0.499  1.0
[/CIF]
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