The compound described by SrMgNiH4 crystallizes in the cubic P2_13 space group. Sr(1) is bonded in a 9-coordinate geometry to three equivalent H(1) and six equivalent H(2) atoms. Mg(1) is bonded in a 6-coordinate geometry to six equivalent H(2) atoms. Ni(1) is bonded in a tetrahedral geometry to one H(1) and three equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to three equivalent Sr(1) and one Ni(1) atom to form distorted corner-sharing HSr3Ni tetrahedra. In the second H site, H(2) is bonded in a 3-coordinate geometry to two equivalent Sr(1), two equivalent Mg(1), and one Ni(1) atom. is represented by the CIF card [CIF]
data_SrMgNiH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.920
_cell_length_b   6.920
_cell_length_c   6.920
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   331.376
_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
  Sr  Sr0  1  0.162  0.662  0.838  1.0
  Sr  Sr1  1  0.662  0.838  0.162  1.0
  Sr  Sr2  1  0.838  0.162  0.662  1.0
  Sr  Sr3  1  0.338  0.338  0.338  1.0
  Mg  Mg4  1  0.848  0.348  0.152  1.0
  Mg  Mg5  1  0.348  0.152  0.848  1.0
  Mg  Mg6  1  0.152  0.848  0.348  1.0
  Mg  Mg7  1  0.652  0.652  0.652  1.0
  Ni  Ni8  1  0.440  0.940  0.560  1.0
  Ni  Ni9  1  0.940  0.560  0.440  1.0
  Ni  Ni10  1  0.560  0.440  0.940  1.0
  Ni  Ni11  1  0.060  0.060  0.060  1.0
  H  H12  1  0.574  0.074  0.426  1.0
  H  H13  1  0.074  0.426  0.574  1.0
  H  H14  1  0.426  0.574  0.074  1.0
  H  H15  1  0.926  0.926  0.926  1.0
  H  H16  1  0.265  0.956  0.081  1.0
  H  H17  1  0.919  0.765  0.544  1.0
  H  H18  1  0.456  0.419  0.735  1.0
  H  H19  1  0.765  0.544  0.919  1.0
  H  H20  1  0.419  0.735  0.456  1.0
  H  H21  1  0.956  0.081  0.265  1.0
  H  H22  1  0.735  0.456  0.419  1.0
  H  H23  1  0.081  0.265  0.956  1.0
  H  H24  1  0.544  0.919  0.765  1.0
  H  H25  1  0.235  0.044  0.581  1.0
  H  H26  1  0.581  0.235  0.044  1.0
  H  H27  1  0.044  0.581  0.235  1.0
[/CIF]
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The compound described by SrMgNiH4 crystallizes in the cubic P2_13 space group. Sr(1) is bonded in a 9-coordinate geometry to three equivalent H(1) and six equivalent H(2) atoms. Mg(1) is bonded in a 6-coordinate geometry to six equivalent H(2) atoms. Ni(1) is bonded in a tetrahedral geometry to one H(1) and three equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to three equivalent Sr(1) and one Ni(1) atom to form distorted corner-sharing HSr3Ni tetrahedra. In the second H site, H(2) is bonded in a 3-coordinate geometry to two equivalent Sr(1), two equivalent Mg(1), and one Ni(1) atom. is represented by the CIF card [CIF]
data_SrMgNiH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.920
_cell_length_b   6.920
_cell_length_c   6.920
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   331.376
_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
  Sr  Sr0  1  0.162  0.662  0.838  1.0
  Sr  Sr1  1  0.662  0.838  0.162  1.0
  Sr  Sr2  1  0.838  0.162  0.662  1.0
  Sr  Sr3  1  0.338  0.338  0.338  1.0
  Mg  Mg4  1  0.848  0.348  0.152  1.0
  Mg  Mg5  1  0.348  0.152  0.848  1.0
  Mg  Mg6  1  0.152  0.848  0.348  1.0
  Mg  Mg7  1  0.652  0.652  0.652  1.0
  Ni  Ni8  1  0.440  0.940  0.560  1.0
  Ni  Ni9  1  0.940  0.560  0.440  1.0
  Ni  Ni10  1  0.560  0.440  0.940  1.0
  Ni  Ni11  1  0.060  0.060  0.060  1.0
  H  H12  1  0.574  0.074  0.426  1.0
  H  H13  1  0.074  0.426  0.574  1.0
  H  H14  1  0.426  0.574  0.074  1.0
  H  H15  1  0.926  0.926  0.926  1.0
  H  H16  1  0.265  0.956  0.081  1.0
  H  H17  1  0.919  0.765  0.544  1.0
  H  H18  1  0.456  0.419  0.735  1.0
  H  H19  1  0.765  0.544  0.919  1.0
  H  H20  1  0.419  0.735  0.456  1.0
  H  H21  1  0.956  0.081  0.265  1.0
  H  H22  1  0.735  0.456  0.419  1.0
  H  H23  1  0.081  0.265  0.956  1.0
  H  H24  1  0.544  0.919  0.765  1.0
  H  H25  1  0.235  0.044  0.581  1.0
  H  H26  1  0.581  0.235  0.044  1.0
  H  H27  1  0.044  0.581  0.235  1.0
[/CIF]
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