The structure described by PrCo5H4 crystallizes in the orthorhombic Cmmm space group. Pr(1) is bonded in a 8-coordinate geometry to four equivalent H(1) and four equivalent H(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a water-like geometry to two equivalent Co(3) and two equivalent H(2) atoms. In the second Co site, Co(2) is bonded in a distorted square co-planar geometry to two equivalent Co(3), two equivalent H(1), and two equivalent H(2) atoms. In the third Co site, Co(3) is bonded in a 8-coordinate geometry to four equivalent Co(1) and four equivalent Co(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to two equivalent Pr(1) and two equivalent Co(2) atoms to form HPr2Co2 tetrahedra that share corners with four equivalent H(2)Pr2Co4 octahedra, corners with six equivalent H(1)Pr2Co2 tetrahedra, edges with four equivalent H(2)Pr2Co4 octahedra, and  an edgeedge with one H(1)Pr2Co2 tetrahedra. The corner-sharing octahedral tilt angles are 63°. In the second H site, H(2) is bonded to two equivalent Pr(1), two equivalent Co(1), and two equivalent Co(2) atoms to form distorted HPr2Co4 octahedra that share corners with six equivalent H(2)Pr2Co4 octahedra, corners with four equivalent H(1)Pr2Co2 tetrahedra, edges with two equivalent H(2)Pr2Co4 octahedra, and edges with four equivalent H(1)Pr2Co2 tetrahedra. The corner-sharing octahedral tilt angles range from 0-64°. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrCo5H4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.196
_cell_length_b   5.196
_cell_length_c   4.039
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   116.478
_symmetry_Int_Tables_number   1
_cell_volume   97.635
_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
  Pr  Pr0  1  0.500  0.500  0.500  1.0
  Co  Co1  1  0.865  0.135  0.500  1.0
  Co  Co2  1  0.135  0.865  0.500  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.000  0.000  0.000  1.0
  H  H6  1  0.645  0.355  0.000  1.0
  H  H7  1  0.355  0.645  0.000  1.0
  H  H8  1  0.000  0.500  0.500  1.0
  H  H9  1  0.500  0.000  0.500  1.0
[/CIF]
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The structure described by PrCo5H4 crystallizes in the orthorhombic Cmmm space group. Pr(1) is bonded in a 8-coordinate geometry to four equivalent H(1) and four equivalent H(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a water-like geometry to two equivalent Co(3) and two equivalent H(2) atoms. In the second Co site, Co(2) is bonded in a distorted square co-planar geometry to two equivalent Co(3), two equivalent H(1), and two equivalent H(2) atoms. In the third Co site, Co(3) is bonded in a 8-coordinate geometry to four equivalent Co(1) and four equivalent Co(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to two equivalent Pr(1) and two equivalent Co(2) atoms to form HPr2Co2 tetrahedra that share corners with four equivalent H(2)Pr2Co4 octahedra, corners with six equivalent H(1)Pr2Co2 tetrahedra, edges with four equivalent H(2)Pr2Co4 octahedra, and  an edgeedge with one H(1)Pr2Co2 tetrahedra. The corner-sharing octahedral tilt angles are 63°. In the second H site, H(2) is bonded to two equivalent Pr(1), two equivalent Co(1), and two equivalent Co(2) atoms to form distorted HPr2Co4 octahedra that share corners with six equivalent H(2)Pr2Co4 octahedra, corners with four equivalent H(1)Pr2Co2 tetrahedra, edges with two equivalent H(2)Pr2Co4 octahedra, and edges with four equivalent H(1)Pr2Co2 tetrahedra. The corner-sharing octahedral tilt angles range from 0-64°. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrCo5H4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.196
_cell_length_b   5.196
_cell_length_c   4.039
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   116.478
_symmetry_Int_Tables_number   1
_cell_volume   97.635
_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
  Pr  Pr0  1  0.500  0.500  0.500  1.0
  Co  Co1  1  0.865  0.135  0.500  1.0
  Co  Co2  1  0.135  0.865  0.500  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.000  0.000  0.000  1.0
  H  H6  1  0.645  0.355  0.000  1.0
  H  H7  1  0.355  0.645  0.000  1.0
  H  H8  1  0.000  0.500  0.500  1.0
  H  H9  1  0.500  0.000  0.500  1.0
[/CIF]
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