The material structure described by Zr2CoH5 crystallizes in the tetragonal P4/ncc space group. Zr(1) is bonded in a 8-coordinate geometry to two equivalent H(1) and six equivalent H(2) atoms. Co(1) is bonded in a distorted square co-planar geometry to four equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to four equivalent Zr(1) atoms to form HZr4 tetrahedra that share corners with sixteen equivalent H(2)Zr3Co tetrahedra, edges with two equivalent H(1)Zr4 tetrahedra, and edges with four equivalent H(2)Zr3Co tetrahedra. In the second H site, H(2) is bonded to three equivalent Zr(1) and one Co(1) atom to form HZr3Co tetrahedra that share corners with four equivalent H(1)Zr4 tetrahedra, corners with twelve equivalent H(2)Zr3Co tetrahedra,  an edgeedge with one H(1)Zr4 tetrahedra, and edges with three equivalent H(2)Zr3Co tetrahedra. is represented by the CIF file [CIF]
data_Zr2CoH5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.931
_cell_length_b   6.931
_cell_length_c   5.692
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   273.448
_cell_formula_units_Z   4
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  0.661  0.339  0.250  1.0
  Zr  Zr1  1  0.661  0.661  0.750  1.0
  Zr  Zr2  1  0.339  0.339  0.750  1.0
  Zr  Zr3  1  0.339  0.661  0.250  1.0
  Zr  Zr4  1  0.839  0.161  0.750  1.0
  Zr  Zr5  1  0.839  0.839  0.250  1.0
  Zr  Zr6  1  0.161  0.161  0.250  1.0
  Zr  Zr7  1  0.161  0.839  0.750  1.0
  Co  Co8  1  0.500  0.000  0.490  1.0
  Co  Co9  1  0.500  0.000  0.990  1.0
  Co  Co10  1  0.000  0.500  0.510  1.0
  Co  Co11  1  0.000  0.500  0.010  1.0
  H  H12  1  0.000  0.000  0.500  1.0
  H  H13  1  0.000  0.000  0.000  1.0
  H  H14  1  0.500  0.500  0.000  1.0
  H  H15  1  0.500  0.500  0.500  1.0
  H  H16  1  0.286  0.916  0.428  1.0
  H  H17  1  0.286  0.084  0.928  1.0
  H  H18  1  0.714  0.916  0.928  1.0
  H  H19  1  0.714  0.084  0.428  1.0
  H  H20  1  0.416  0.786  0.928  1.0
  H  H21  1  0.416  0.214  0.428  1.0
  H  H22  1  0.584  0.786  0.428  1.0
  H  H23  1  0.584  0.214  0.928  1.0
  H  H24  1  0.214  0.584  0.572  1.0
  H  H25  1  0.214  0.416  0.072  1.0
  H  H26  1  0.786  0.584  0.072  1.0
  H  H27  1  0.786  0.416  0.572  1.0
  H  H28  1  0.084  0.714  0.072  1.0
  H  H29  1  0.084  0.286  0.572  1.0
  H  H30  1  0.916  0.714  0.572  1.0
  H  H31  1  0.916  0.286  0.072  1.0
[/CIF]
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The material structure described by Zr2CoH5 crystallizes in the tetragonal P4/ncc space group. Zr(1) is bonded in a 8-coordinate geometry to two equivalent H(1) and six equivalent H(2) atoms. Co(1) is bonded in a distorted square co-planar geometry to four equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to four equivalent Zr(1) atoms to form HZr4 tetrahedra that share corners with sixteen equivalent H(2)Zr3Co tetrahedra, edges with two equivalent H(1)Zr4 tetrahedra, and edges with four equivalent H(2)Zr3Co tetrahedra. In the second H site, H(2) is bonded to three equivalent Zr(1) and one Co(1) atom to form HZr3Co tetrahedra that share corners with four equivalent H(1)Zr4 tetrahedra, corners with twelve equivalent H(2)Zr3Co tetrahedra,  an edgeedge with one H(1)Zr4 tetrahedra, and edges with three equivalent H(2)Zr3Co tetrahedra. is represented by the CIF file [CIF]
data_Zr2CoH5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.931
_cell_length_b   6.931
_cell_length_c   5.692
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   273.448
_cell_formula_units_Z   4
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  0.661  0.339  0.250  1.0
  Zr  Zr1  1  0.661  0.661  0.750  1.0
  Zr  Zr2  1  0.339  0.339  0.750  1.0
  Zr  Zr3  1  0.339  0.661  0.250  1.0
  Zr  Zr4  1  0.839  0.161  0.750  1.0
  Zr  Zr5  1  0.839  0.839  0.250  1.0
  Zr  Zr6  1  0.161  0.161  0.250  1.0
  Zr  Zr7  1  0.161  0.839  0.750  1.0
  Co  Co8  1  0.500  0.000  0.490  1.0
  Co  Co9  1  0.500  0.000  0.990  1.0
  Co  Co10  1  0.000  0.500  0.510  1.0
  Co  Co11  1  0.000  0.500  0.010  1.0
  H  H12  1  0.000  0.000  0.500  1.0
  H  H13  1  0.000  0.000  0.000  1.0
  H  H14  1  0.500  0.500  0.000  1.0
  H  H15  1  0.500  0.500  0.500  1.0
  H  H16  1  0.286  0.916  0.428  1.0
  H  H17  1  0.286  0.084  0.928  1.0
  H  H18  1  0.714  0.916  0.928  1.0
  H  H19  1  0.714  0.084  0.428  1.0
  H  H20  1  0.416  0.786  0.928  1.0
  H  H21  1  0.416  0.214  0.428  1.0
  H  H22  1  0.584  0.786  0.428  1.0
  H  H23  1  0.584  0.214  0.928  1.0
  H  H24  1  0.214  0.584  0.572  1.0
  H  H25  1  0.214  0.416  0.072  1.0
  H  H26  1  0.786  0.584  0.072  1.0
  H  H27  1  0.786  0.416  0.572  1.0
  H  H28  1  0.084  0.714  0.072  1.0
  H  H29  1  0.084  0.286  0.572  1.0
  H  H30  1  0.916  0.714  0.572  1.0
  H  H31  1  0.916  0.286  0.072  1.0
[/CIF]
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