The compound described by Zr6Co(SnH5)2 crystallizes in the hexagonal P-62c space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to two equivalent Sn(1), one H(4), two equivalent H(1), two equivalent H(2), and two equivalent H(3) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to four equivalent Sn(1), one H(3), two equivalent H(1), and two equivalent H(2) atoms. Co(1) is bonded to two equivalent H(4) and three equivalent H(3) atoms to form corner-sharing CoH5 trigonal bipyramids. Sn(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), six equivalent Zr(2), and one Sn(1) atom. There are four inequivalent H sites. In the first H site, H(4) is bonded to three equivalent Zr(1) and two equivalent Co(1) atoms to form HZr3Co2 trigonal bipyramids that share corners with six equivalent H(2)Zr4 tetrahedra, corners with two equivalent H(4)Zr3Co2 trigonal bipyramids, edges with three equivalent H(1)Zr4 tetrahedra, and edges with six equivalent H(3)Zr3Co tetrahedra. In the second H site, H(1) is bonded to two equivalent Zr(1) and two equivalent Zr(2) atoms to form HZr4 tetrahedra that share corners with two equivalent H(3)Zr3Co tetrahedra, corners with four equivalent H(1)Zr4 tetrahedra, corners with four equivalent H(2)Zr4 tetrahedra, edges with two equivalent H(3)Zr3Co tetrahedra, edges with two equivalent H(2)Zr4 tetrahedra, and  an edgeedge with one H(4)Zr3Co2 trigonal bipyramid. In the third H site, H(2) is bonded to two equivalent Zr(1) and two equivalent Zr(2) atoms to form HZr4 tetrahedra that share corners with four equivalent H(3)Zr3Co tetrahedra, corners with four equivalent H(1)Zr4 tetrahedra, corners with four equivalent H(2)Zr4 tetrahedra, corners with two equivalent H(4)Zr3Co2 trigonal bipyramids,  an edgeedge with one H(3)Zr3Co tetrahedra, and edges with two equivalent H(1)Zr4 tetrahedra. In the fourth H site, H(3) is bonded to one Zr(2), two equivalent Zr(1), and one Co(1) atom to form distorted HZr3Co tetrahedra that share corners with two equivalent H(1)Zr4 tetrahedra, corners with four equivalent H(3)Zr3Co tetrahedra, corners with four equivalent H(2)Zr4 tetrahedra,  an edgeedge with one H(2)Zr4 tetrahedra, edges with two equivalent H(1)Zr4 tetrahedra, and edges with two equivalent H(4)Zr3Co2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Zr6Co(SnH5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.162
_cell_length_b   8.162
_cell_length_c   7.362
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   424.677
_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  0.745  0.000  0.000  1.0
  Zr  Zr1  1  0.000  0.745  0.000  1.0
  Zr  Zr2  1  0.745  0.000  0.500  1.0
  Zr  Zr3  1  0.255  0.255  0.000  1.0
  Zr  Zr4  1  0.000  0.745  0.500  1.0
  Zr  Zr5  1  0.255  0.255  0.500  1.0
  Zr  Zr6  1  0.418  0.047  0.250  1.0
  Zr  Zr7  1  0.953  0.372  0.250  1.0
  Zr  Zr8  1  0.047  0.418  0.750  1.0
  Zr  Zr9  1  0.628  0.582  0.250  1.0
  Zr  Zr10  1  0.372  0.953  0.750  1.0
  Zr  Zr11  1  0.582  0.628  0.750  1.0
  Co  Co12  1  0.000  0.000  0.250  1.0
  Co  Co13  1  0.000  0.000  0.750  1.0
  Sn  Sn14  1  0.333  0.667  0.041  1.0
  Sn  Sn15  1  0.333  0.667  0.459  1.0
  Sn  Sn16  1  0.667  0.333  0.959  1.0
  Sn  Sn17  1  0.667  0.333  0.541  1.0
  H  H18  1  0.278  0.000  0.000  1.0
  H  H19  1  0.000  0.278  0.000  1.0
  H  H20  1  0.278  0.000  0.500  1.0
  H  H21  1  0.722  0.722  0.000  1.0
  H  H22  1  0.000  0.278  0.500  1.0
  H  H23  1  0.722  0.722  0.500  1.0
  H  H24  1  0.402  0.293  0.250  1.0
  H  H25  1  0.707  0.108  0.250  1.0
  H  H26  1  0.293  0.402  0.750  1.0
  H  H27  1  0.892  0.598  0.250  1.0
  H  H28  1  0.108  0.707  0.750  1.0
  H  H29  1  0.598  0.892  0.750  1.0
  H  H30  1  0.117  0.235  0.250  1.0
  H  H31  1  0.765  0.882  0.250  1.0
  H  H32  1  0.235  0.117  0.750  1.0
  H  H33  1  0.118  0.883  0.250  1.0
  H  H34  1  0.882  0.765  0.750  1.0
  H  H35  1  0.883  0.118  0.750  1.0
  H  H36  1  0.000  0.000  0.000  1.0
  H  H37  1  0.000  0.000  0.500  1.0
[/CIF]
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The compound described by Zr6Co(SnH5)2 crystallizes in the hexagonal P-62c space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to two equivalent Sn(1), one H(4), two equivalent H(1), two equivalent H(2), and two equivalent H(3) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to four equivalent Sn(1), one H(3), two equivalent H(1), and two equivalent H(2) atoms. Co(1) is bonded to two equivalent H(4) and three equivalent H(3) atoms to form corner-sharing CoH5 trigonal bipyramids. Sn(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), six equivalent Zr(2), and one Sn(1) atom. There are four inequivalent H sites. In the first H site, H(4) is bonded to three equivalent Zr(1) and two equivalent Co(1) atoms to form HZr3Co2 trigonal bipyramids that share corners with six equivalent H(2)Zr4 tetrahedra, corners with two equivalent H(4)Zr3Co2 trigonal bipyramids, edges with three equivalent H(1)Zr4 tetrahedra, and edges with six equivalent H(3)Zr3Co tetrahedra. In the second H site, H(1) is bonded to two equivalent Zr(1) and two equivalent Zr(2) atoms to form HZr4 tetrahedra that share corners with two equivalent H(3)Zr3Co tetrahedra, corners with four equivalent H(1)Zr4 tetrahedra, corners with four equivalent H(2)Zr4 tetrahedra, edges with two equivalent H(3)Zr3Co tetrahedra, edges with two equivalent H(2)Zr4 tetrahedra, and  an edgeedge with one H(4)Zr3Co2 trigonal bipyramid. In the third H site, H(2) is bonded to two equivalent Zr(1) and two equivalent Zr(2) atoms to form HZr4 tetrahedra that share corners with four equivalent H(3)Zr3Co tetrahedra, corners with four equivalent H(1)Zr4 tetrahedra, corners with four equivalent H(2)Zr4 tetrahedra, corners with two equivalent H(4)Zr3Co2 trigonal bipyramids,  an edgeedge with one H(3)Zr3Co tetrahedra, and edges with two equivalent H(1)Zr4 tetrahedra. In the fourth H site, H(3) is bonded to one Zr(2), two equivalent Zr(1), and one Co(1) atom to form distorted HZr3Co tetrahedra that share corners with two equivalent H(1)Zr4 tetrahedra, corners with four equivalent H(3)Zr3Co tetrahedra, corners with four equivalent H(2)Zr4 tetrahedra,  an edgeedge with one H(2)Zr4 tetrahedra, edges with two equivalent H(1)Zr4 tetrahedra, and edges with two equivalent H(4)Zr3Co2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Zr6Co(SnH5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.162
_cell_length_b   8.162
_cell_length_c   7.362
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   424.677
_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  0.745  0.000  0.000  1.0
  Zr  Zr1  1  0.000  0.745  0.000  1.0
  Zr  Zr2  1  0.745  0.000  0.500  1.0
  Zr  Zr3  1  0.255  0.255  0.000  1.0
  Zr  Zr4  1  0.000  0.745  0.500  1.0
  Zr  Zr5  1  0.255  0.255  0.500  1.0
  Zr  Zr6  1  0.418  0.047  0.250  1.0
  Zr  Zr7  1  0.953  0.372  0.250  1.0
  Zr  Zr8  1  0.047  0.418  0.750  1.0
  Zr  Zr9  1  0.628  0.582  0.250  1.0
  Zr  Zr10  1  0.372  0.953  0.750  1.0
  Zr  Zr11  1  0.582  0.628  0.750  1.0
  Co  Co12  1  0.000  0.000  0.250  1.0
  Co  Co13  1  0.000  0.000  0.750  1.0
  Sn  Sn14  1  0.333  0.667  0.041  1.0
  Sn  Sn15  1  0.333  0.667  0.459  1.0
  Sn  Sn16  1  0.667  0.333  0.959  1.0
  Sn  Sn17  1  0.667  0.333  0.541  1.0
  H  H18  1  0.278  0.000  0.000  1.0
  H  H19  1  0.000  0.278  0.000  1.0
  H  H20  1  0.278  0.000  0.500  1.0
  H  H21  1  0.722  0.722  0.000  1.0
  H  H22  1  0.000  0.278  0.500  1.0
  H  H23  1  0.722  0.722  0.500  1.0
  H  H24  1  0.402  0.293  0.250  1.0
  H  H25  1  0.707  0.108  0.250  1.0
  H  H26  1  0.293  0.402  0.750  1.0
  H  H27  1  0.892  0.598  0.250  1.0
  H  H28  1  0.108  0.707  0.750  1.0
  H  H29  1  0.598  0.892  0.750  1.0
  H  H30  1  0.117  0.235  0.250  1.0
  H  H31  1  0.765  0.882  0.250  1.0
  H  H32  1  0.235  0.117  0.750  1.0
  H  H33  1  0.118  0.883  0.250  1.0
  H  H34  1  0.882  0.765  0.750  1.0
  H  H35  1  0.883  0.118  0.750  1.0
  H  H36  1  0.000  0.000  0.000  1.0
  H  H37  1  0.000  0.000  0.500  1.0
[/CIF]
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