The material described by Y2CrH6 crystallizes in the cubic Fm-3m space group. Y(1) is bonded to twelve equivalent H(1) atoms to form YH12 cuboctahedra that share corners with twelve equivalent Y(1)H12 cuboctahedra, faces with six equivalent Y(1)H12 cuboctahedra, and faces with four equivalent Cr(1)H6 octahedra. Cr(1) is bonded to six equivalent H(1) atoms to form CrH6 octahedra that share faces with eight equivalent Y(1)H12 cuboctahedra. H(1) is bonded to four equivalent Y(1) and one Cr(1) atom to form a mixture of distorted face, corner, and edge-sharing HY4Cr square pyramids. is represented by the CIF file [CIF]
data_Y2CrH6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.949
_cell_length_b   4.949
_cell_length_c   4.949
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   85.700
_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
  Y  Y0  1  0.750  0.750  0.750  1.0
  Y  Y1  1  0.250  0.250  0.250  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.754  0.754  0.246  1.0
  H  H4  1  0.246  0.754  0.246  1.0
  H  H5  1  0.754  0.246  0.246  1.0
  H  H6  1  0.246  0.246  0.754  1.0
  H  H7  1  0.754  0.246  0.754  1.0
  H  H8  1  0.246  0.754  0.754  1.0
[/CIF]
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The material described by Y2CrH6 crystallizes in the cubic Fm-3m space group. Y(1) is bonded to twelve equivalent H(1) atoms to form YH12 cuboctahedra that share corners with twelve equivalent Y(1)H12 cuboctahedra, faces with six equivalent Y(1)H12 cuboctahedra, and faces with four equivalent Cr(1)H6 octahedra. Cr(1) is bonded to six equivalent H(1) atoms to form CrH6 octahedra that share faces with eight equivalent Y(1)H12 cuboctahedra. H(1) is bonded to four equivalent Y(1) and one Cr(1) atom to form a mixture of distorted face, corner, and edge-sharing HY4Cr square pyramids. is represented by the CIF file [CIF]
data_Y2CrH6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.949
_cell_length_b   4.949
_cell_length_c   4.949
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   85.700
_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
  Y  Y0  1  0.750  0.750  0.750  1.0
  Y  Y1  1  0.250  0.250  0.250  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.754  0.754  0.246  1.0
  H  H4  1  0.246  0.754  0.246  1.0
  H  H5  1  0.754  0.246  0.246  1.0
  H  H6  1  0.246  0.246  0.754  1.0
  H  H7  1  0.754  0.246  0.754  1.0
  H  H8  1  0.246  0.754  0.754  1.0
[/CIF]
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