The material structure described by NbVH4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. Nb(1) is bonded in a body-centered cubic geometry to eight equivalent H(1) atoms. V(1) is bonded in a body-centered cubic geometry to eight equivalent H(1) atoms. H(1) is bonded to two equivalent Nb(1) and two equivalent V(1) atoms to form a mixture of corner and edge-sharing HNb2V2 tetrahedra. is represented by the CIF card [CIF]
data_NbVH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.118
_cell_length_b   3.118
_cell_length_c   4.410
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   42.880
_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
  Nb  Nb0  1  0.000  0.000  0.000  1.0
  V  V1  1  0.500  0.500  0.500  1.0
  H  H2  1  0.500  0.000  0.727  1.0
  H  H3  1  0.000  0.500  0.273  1.0
  H  H4  1  0.500  0.000  0.273  1.0
  H  H5  1  0.000  0.500  0.727  1.0
[/CIF]
.
The material structure described by NbVH4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. Nb(1) is bonded in a body-centered cubic geometry to eight equivalent H(1) atoms. V(1) is bonded in a body-centered cubic geometry to eight equivalent H(1) atoms. H(1) is bonded to two equivalent Nb(1) and two equivalent V(1) atoms to form a mixture of corner and edge-sharing HNb2V2 tetrahedra. is represented by the CIF card [CIF]
data_NbVH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.118
_cell_length_b   3.118
_cell_length_c   4.410
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   42.880
_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
  Nb  Nb0  1  0.000  0.000  0.000  1.0
  V  V1  1  0.500  0.500  0.500  1.0
  H  H2  1  0.500  0.000  0.727  1.0
  H  H3  1  0.000  0.500  0.273  1.0
  H  H4  1  0.500  0.000  0.273  1.0
  H  H5  1  0.000  0.500  0.727  1.0
[/CIF]
.