The structure described by Zr5V5Si6 crystallizes in the monoclinic Cm space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to one Si(1), two equivalent Si(2), and two equivalent Si(4) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Si(3), two equivalent Si(1), and two equivalent Si(4) atoms. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one Si(1), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one Si(1), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. In the third V site, V(3) is bonded in a 5-coordinate geometry to one Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), one V(3), two equivalent V(1), and two equivalent V(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(3), one V(3), two equivalent V(1), and two equivalent V(2) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Zr(2), two equivalent Zr(3), two equivalent V(1), two equivalent V(2), and two equivalent V(3) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Zr(2), two equivalent Zr(1), two equivalent Zr(3), two equivalent V(1), and two equivalent V(2) atoms. is represented by the CIF file [CIF]
data_Zr5V5Si6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.130
_cell_length_b   7.725
_cell_length_c   7.562
_cell_angle_alpha   120.716
_cell_angle_beta   89.928
_cell_angle_gamma   90.141
_symmetry_Int_Tables_number   1
_cell_volume   257.682
_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
  Zr  Zr0  1  0.751  0.754  0.755  1.0
  Zr  Zr1  1  0.751  0.999  0.245  1.0
  Zr  Zr2  1  0.250  0.742  0.000  1.0
  Zr  Zr3  1  0.250  0.241  0.240  1.0
  Zr  Zr4  1  0.250  0.002  0.760  1.0
  V  V5  1  0.500  0.333  0.665  1.0
  V  V6  1  0.500  0.668  0.335  1.0
  V  V7  1  0.999  0.668  0.335  1.0
  V  V8  1  0.999  0.333  0.665  1.0
  V  V9  1  0.750  0.267  0.000  1.0
  Si  Si10  1  0.750  0.588  0.000  1.0
  Si  Si11  1  0.750  0.399  0.390  1.0
  Si  Si12  1  0.750  0.009  0.610  1.0
  Si  Si13  1  0.250  0.401  0.000  1.0
  Si  Si14  1  0.249  0.597  0.595  1.0
  Si  Si15  1  0.249  0.001  0.405  1.0
[/CIF]
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The structure described by Zr5V5Si6 crystallizes in the monoclinic Cm space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to one Si(1), two equivalent Si(2), and two equivalent Si(4) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Si(3), two equivalent Si(1), and two equivalent Si(4) atoms. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one Si(1), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one Si(1), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. In the third V site, V(3) is bonded in a 5-coordinate geometry to one Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), one V(3), two equivalent V(1), and two equivalent V(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(3), one V(3), two equivalent V(1), and two equivalent V(2) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Zr(2), two equivalent Zr(3), two equivalent V(1), two equivalent V(2), and two equivalent V(3) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Zr(2), two equivalent Zr(1), two equivalent Zr(3), two equivalent V(1), and two equivalent V(2) atoms. is represented by the CIF file [CIF]
data_Zr5V5Si6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.130
_cell_length_b   7.725
_cell_length_c   7.562
_cell_angle_alpha   120.716
_cell_angle_beta   89.928
_cell_angle_gamma   90.141
_symmetry_Int_Tables_number   1
_cell_volume   257.682
_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
  Zr  Zr0  1  0.751  0.754  0.755  1.0
  Zr  Zr1  1  0.751  0.999  0.245  1.0
  Zr  Zr2  1  0.250  0.742  0.000  1.0
  Zr  Zr3  1  0.250  0.241  0.240  1.0
  Zr  Zr4  1  0.250  0.002  0.760  1.0
  V  V5  1  0.500  0.333  0.665  1.0
  V  V6  1  0.500  0.668  0.335  1.0
  V  V7  1  0.999  0.668  0.335  1.0
  V  V8  1  0.999  0.333  0.665  1.0
  V  V9  1  0.750  0.267  0.000  1.0
  Si  Si10  1  0.750  0.588  0.000  1.0
  Si  Si11  1  0.750  0.399  0.390  1.0
  Si  Si12  1  0.750  0.009  0.610  1.0
  Si  Si13  1  0.250  0.401  0.000  1.0
  Si  Si14  1  0.249  0.597  0.595  1.0
  Si  Si15  1  0.249  0.001  0.405  1.0
[/CIF]
.