The compound described by NbRuSi crystallizes in the orthorhombic Ima2 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 11-coordinate geometry to two equivalent Ru(1), four equivalent Ru(2), one Si(1), and four equivalent Si(2) atoms. In the second Nb site, Nb(2) is bonded in a 7-coordinate geometry to two equivalent Ru(1), two equivalent Ru(2), one Si(1), and four equivalent Si(2) atoms. In the third Nb site, Nb(3) is bonded in a 9-coordinate geometry to two equivalent Ru(1), two equivalent Ru(2), one Si(1), and four equivalent Si(2) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 12-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent Nb(3), two equivalent Ru(2), two equivalent Si(1), and two equivalent Si(2) atoms. In the second Ru site, Ru(2) is bonded in a 8-coordinate geometry to one Nb(2), one Nb(3), two equivalent Nb(1), one Ru(1), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Nb(1), one Nb(2), one Nb(3), two equivalent Ru(1), and four equivalent Ru(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent Nb(3), one Ru(1), and two equivalent Ru(2) atoms. is represented by the CIF card [CIF]
data_NbSiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.457
_cell_length_b   7.457
_cell_length_c   7.457
_cell_angle_alpha   127.883
_cell_angle_beta   121.558
_cell_angle_gamma   82.102
_symmetry_Int_Tables_number   1
_cell_volume   268.220
_cell_formula_units_Z   6
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
  Nb  Nb0  1  0.553  0.096  0.042  1.0
  Nb  Nb1  1  0.447  0.489  0.542  1.0
  Nb  Nb2  1  0.969  0.497  0.029  1.0
  Nb  Nb3  1  0.031  0.060  0.529  1.0
  Nb  Nb4  1  0.752  0.917  0.665  1.0
  Nb  Nb5  1  0.248  0.914  0.165  1.0
  Si  Si6  1  0.779  0.530  0.251  1.0
  Si  Si7  1  0.221  0.473  0.751  1.0
  Si  Si8  1  0.337  0.829  0.499  1.0
  Si  Si9  1  0.663  0.163  0.493  1.0
  Si  Si10  1  0.830  0.829  0.993  1.0
  Si  Si11  1  0.170  0.163  0.999  1.0
  Ru  Ru12  1  0.500  0.251  0.751  1.0
  Ru  Ru13  1  0.000  0.251  0.251  1.0
  Ru  Ru14  1  0.157  0.744  0.653  1.0
  Ru  Ru15  1  0.843  0.496  0.588  1.0
  Ru  Ru16  1  0.591  0.744  0.088  1.0
  Ru  Ru17  1  0.409  0.496  0.153  1.0
[/CIF]
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The compound described by NbRuSi crystallizes in the orthorhombic Ima2 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 11-coordinate geometry to two equivalent Ru(1), four equivalent Ru(2), one Si(1), and four equivalent Si(2) atoms. In the second Nb site, Nb(2) is bonded in a 7-coordinate geometry to two equivalent Ru(1), two equivalent Ru(2), one Si(1), and four equivalent Si(2) atoms. In the third Nb site, Nb(3) is bonded in a 9-coordinate geometry to two equivalent Ru(1), two equivalent Ru(2), one Si(1), and four equivalent Si(2) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 12-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent Nb(3), two equivalent Ru(2), two equivalent Si(1), and two equivalent Si(2) atoms. In the second Ru site, Ru(2) is bonded in a 8-coordinate geometry to one Nb(2), one Nb(3), two equivalent Nb(1), one Ru(1), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Nb(1), one Nb(2), one Nb(3), two equivalent Ru(1), and four equivalent Ru(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent Nb(3), one Ru(1), and two equivalent Ru(2) atoms. is represented by the CIF card [CIF]
data_NbSiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.457
_cell_length_b   7.457
_cell_length_c   7.457
_cell_angle_alpha   127.883
_cell_angle_beta   121.558
_cell_angle_gamma   82.102
_symmetry_Int_Tables_number   1
_cell_volume   268.220
_cell_formula_units_Z   6
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
  Nb  Nb0  1  0.553  0.096  0.042  1.0
  Nb  Nb1  1  0.447  0.489  0.542  1.0
  Nb  Nb2  1  0.969  0.497  0.029  1.0
  Nb  Nb3  1  0.031  0.060  0.529  1.0
  Nb  Nb4  1  0.752  0.917  0.665  1.0
  Nb  Nb5  1  0.248  0.914  0.165  1.0
  Si  Si6  1  0.779  0.530  0.251  1.0
  Si  Si7  1  0.221  0.473  0.751  1.0
  Si  Si8  1  0.337  0.829  0.499  1.0
  Si  Si9  1  0.663  0.163  0.493  1.0
  Si  Si10  1  0.830  0.829  0.993  1.0
  Si  Si11  1  0.170  0.163  0.999  1.0
  Ru  Ru12  1  0.500  0.251  0.751  1.0
  Ru  Ru13  1  0.000  0.251  0.251  1.0
  Ru  Ru14  1  0.157  0.744  0.653  1.0
  Ru  Ru15  1  0.843  0.496  0.588  1.0
  Ru  Ru16  1  0.591  0.744  0.088  1.0
  Ru  Ru17  1  0.409  0.496  0.153  1.0
[/CIF]
.