The structure described by ZrZn16 crystallizes in the orthorhombic Cmcm space group. Zr(1) is bonded in a 15-coordinate geometry to one Zn(6), two equivalent Zn(3), two equivalent Zn(4), two equivalent Zn(7), four equivalent Zn(1), and four equivalent Zn(2) atoms. There are seven inequivalent Zn sites. In the first Zn site, Zn(6) is bonded in a 9-coordinate geometry to one Zr(1), two equivalent Zn(3), four equivalent Zn(1), and four equivalent Zn(2) atoms. In the second Zn site, Zn(7) is bonded to two equivalent Zr(1), two equivalent Zn(4), four equivalent Zn(1), and four equivalent Zn(2) atoms to form corner-sharing ZnZr2Zn10 cuboctahedra. In the third Zn site, Zn(1) is bonded in a 13-coordinate geometry to one Zr(1), one Zn(3), one Zn(6), one Zn(7), two equivalent Zn(1), two equivalent Zn(4), two equivalent Zn(5), and three equivalent Zn(2) atoms. In the fourth Zn site, Zn(2) is bonded in a 12-coordinate geometry to one Zr(1), one Zn(3), one Zn(4), one Zn(6), one Zn(7), two equivalent Zn(2), two equivalent Zn(5), and three equivalent Zn(1) atoms. In the fifth Zn site, Zn(3) is bonded in a 11-coordinate geometry to one Zr(1), one Zn(3), one Zn(6), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(4), and two equivalent Zn(5) atoms. In the sixth Zn site, Zn(4) is bonded in a 10-coordinate geometry to one Zr(1), one Zn(4), one Zn(5), one Zn(7), two equivalent Zn(2), two equivalent Zn(3), and four equivalent Zn(1) atoms. In the seventh Zn site, Zn(5) is bonded in a 12-coordinate geometry to one Zn(4), one Zn(5), two equivalent Zn(3), four equivalent Zn(1), and four equivalent Zn(2) atoms. is represented by the CIF card [CIF]
data_ZrZn16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.881
_cell_length_b   6.881
_cell_length_c   11.622
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.345
_symmetry_Int_Tables_number   1
_cell_volume   508.952
_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
  Zr  Zr0  1  0.047  0.953  0.750  1.0
  Zr  Zr1  1  0.953  0.047  0.250  1.0
  Zn  Zn2  1  0.355  0.984  0.932  1.0
  Zn  Zn3  1  0.645  0.016  0.432  1.0
  Zn  Zn4  1  0.984  0.355  0.068  1.0
  Zn  Zn5  1  0.016  0.645  0.568  1.0
  Zn  Zn6  1  0.645  0.016  0.068  1.0
  Zn  Zn7  1  0.355  0.984  0.568  1.0
  Zn  Zn8  1  0.016  0.645  0.932  1.0
  Zn  Zn9  1  0.984  0.355  0.432  1.0
  Zn  Zn10  1  0.647  0.751  0.866  1.0
  Zn  Zn11  1  0.353  0.249  0.366  1.0
  Zn  Zn12  1  0.751  0.647  0.134  1.0
  Zn  Zn13  1  0.249  0.353  0.634  1.0
  Zn  Zn14  1  0.353  0.249  0.134  1.0
  Zn  Zn15  1  0.647  0.751  0.634  1.0
  Zn  Zn16  1  0.249  0.353  0.866  1.0
  Zn  Zn17  1  0.751  0.647  0.366  1.0
  Zn  Zn18  1  0.484  0.191  0.750  1.0
  Zn  Zn19  1  0.516  0.809  0.250  1.0
  Zn  Zn20  1  0.191  0.484  0.250  1.0
  Zn  Zn21  1  0.809  0.516  0.750  1.0
  Zn  Zn22  1  0.177  0.823  0.361  1.0
  Zn  Zn23  1  0.823  0.177  0.861  1.0
  Zn  Zn24  1  0.823  0.177  0.639  1.0
  Zn  Zn25  1  0.177  0.823  0.139  1.0
  Zn  Zn26  1  0.623  0.377  0.970  1.0
  Zn  Zn27  1  0.377  0.623  0.470  1.0
  Zn  Zn28  1  0.377  0.623  0.030  1.0
  Zn  Zn29  1  0.623  0.377  0.530  1.0
  Zn  Zn30  1  0.294  0.706  0.750  1.0
  Zn  Zn31  1  0.706  0.294  0.250  1.0
  Zn  Zn32  1  0.000  0.000  0.000  1.0
  Zn  Zn33  1  0.000  0.000  0.500  1.0
[/CIF]
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The structure described by ZrZn16 crystallizes in the orthorhombic Cmcm space group. Zr(1) is bonded in a 15-coordinate geometry to one Zn(6), two equivalent Zn(3), two equivalent Zn(4), two equivalent Zn(7), four equivalent Zn(1), and four equivalent Zn(2) atoms. There are seven inequivalent Zn sites. In the first Zn site, Zn(6) is bonded in a 9-coordinate geometry to one Zr(1), two equivalent Zn(3), four equivalent Zn(1), and four equivalent Zn(2) atoms. In the second Zn site, Zn(7) is bonded to two equivalent Zr(1), two equivalent Zn(4), four equivalent Zn(1), and four equivalent Zn(2) atoms to form corner-sharing ZnZr2Zn10 cuboctahedra. In the third Zn site, Zn(1) is bonded in a 13-coordinate geometry to one Zr(1), one Zn(3), one Zn(6), one Zn(7), two equivalent Zn(1), two equivalent Zn(4), two equivalent Zn(5), and three equivalent Zn(2) atoms. In the fourth Zn site, Zn(2) is bonded in a 12-coordinate geometry to one Zr(1), one Zn(3), one Zn(4), one Zn(6), one Zn(7), two equivalent Zn(2), two equivalent Zn(5), and three equivalent Zn(1) atoms. In the fifth Zn site, Zn(3) is bonded in a 11-coordinate geometry to one Zr(1), one Zn(3), one Zn(6), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(4), and two equivalent Zn(5) atoms. In the sixth Zn site, Zn(4) is bonded in a 10-coordinate geometry to one Zr(1), one Zn(4), one Zn(5), one Zn(7), two equivalent Zn(2), two equivalent Zn(3), and four equivalent Zn(1) atoms. In the seventh Zn site, Zn(5) is bonded in a 12-coordinate geometry to one Zn(4), one Zn(5), two equivalent Zn(3), four equivalent Zn(1), and four equivalent Zn(2) atoms. is represented by the CIF card [CIF]
data_ZrZn16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.881
_cell_length_b   6.881
_cell_length_c   11.622
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.345
_symmetry_Int_Tables_number   1
_cell_volume   508.952
_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
  Zr  Zr0  1  0.047  0.953  0.750  1.0
  Zr  Zr1  1  0.953  0.047  0.250  1.0
  Zn  Zn2  1  0.355  0.984  0.932  1.0
  Zn  Zn3  1  0.645  0.016  0.432  1.0
  Zn  Zn4  1  0.984  0.355  0.068  1.0
  Zn  Zn5  1  0.016  0.645  0.568  1.0
  Zn  Zn6  1  0.645  0.016  0.068  1.0
  Zn  Zn7  1  0.355  0.984  0.568  1.0
  Zn  Zn8  1  0.016  0.645  0.932  1.0
  Zn  Zn9  1  0.984  0.355  0.432  1.0
  Zn  Zn10  1  0.647  0.751  0.866  1.0
  Zn  Zn11  1  0.353  0.249  0.366  1.0
  Zn  Zn12  1  0.751  0.647  0.134  1.0
  Zn  Zn13  1  0.249  0.353  0.634  1.0
  Zn  Zn14  1  0.353  0.249  0.134  1.0
  Zn  Zn15  1  0.647  0.751  0.634  1.0
  Zn  Zn16  1  0.249  0.353  0.866  1.0
  Zn  Zn17  1  0.751  0.647  0.366  1.0
  Zn  Zn18  1  0.484  0.191  0.750  1.0
  Zn  Zn19  1  0.516  0.809  0.250  1.0
  Zn  Zn20  1  0.191  0.484  0.250  1.0
  Zn  Zn21  1  0.809  0.516  0.750  1.0
  Zn  Zn22  1  0.177  0.823  0.361  1.0
  Zn  Zn23  1  0.823  0.177  0.861  1.0
  Zn  Zn24  1  0.823  0.177  0.639  1.0
  Zn  Zn25  1  0.177  0.823  0.139  1.0
  Zn  Zn26  1  0.623  0.377  0.970  1.0
  Zn  Zn27  1  0.377  0.623  0.470  1.0
  Zn  Zn28  1  0.377  0.623  0.030  1.0
  Zn  Zn29  1  0.623  0.377  0.530  1.0
  Zn  Zn30  1  0.294  0.706  0.750  1.0
  Zn  Zn31  1  0.706  0.294  0.250  1.0
  Zn  Zn32  1  0.000  0.000  0.000  1.0
  Zn  Zn33  1  0.000  0.000  0.500  1.0
[/CIF]
.