The compound described by LiMg4Os2H13 crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent H(2) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to one H(3), three equivalent H(1), and six equivalent H(2) atoms. In the second Mg site, Mg(2) is bonded to three equivalent H(2) and nine equivalent H(1) atoms to form MgH12 cuboctahedra that share corners with six equivalent Mg(2)H12 cuboctahedra, faces with three equivalent Mg(2)H12 cuboctahedra, and faces with four equivalent Os(1)H6 octahedra. Os(1) is bonded to three equivalent H(1) and three equivalent H(2) atoms to form OsH6 octahedra that share faces with four equivalent Mg(2)H12 cuboctahedra. There are three inequivalent H sites. In the first H site, H(3) is bonded in a linear geometry to two equivalent Mg(1) atoms. In the second H site, H(1) is bonded to one Mg(1), three equivalent Mg(2), and one Os(1) atom to form a mixture of edge, face, and corner-sharing HMg4Os square pyramids. In the third H site, H(2) is bonded in a 5-coordinate geometry to one Li(1), one Mg(2), two equivalent Mg(1), and one Os(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMg4H13Os2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.727
_cell_length_b   4.727
_cell_length_c   18.485
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   357.781
_cell_formula_units_Z   2
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
  Li  Li0  1  0.333  0.667  0.250  1.0
  Li  Li1  1  0.667  0.333  0.750  1.0
  Mg  Mg2  1  0.000  0.000  0.351  1.0
  Mg  Mg3  1  0.000  0.000  0.649  1.0
  Mg  Mg4  1  0.000  0.000  0.851  1.0
  Mg  Mg5  1  0.000  0.000  0.149  1.0
  Mg  Mg6  1  0.333  0.667  0.948  1.0
  Mg  Mg7  1  0.667  0.333  0.052  1.0
  Mg  Mg8  1  0.667  0.333  0.448  1.0
  Mg  Mg9  1  0.333  0.667  0.552  1.0
  H  H10  1  0.164  0.836  0.449  1.0
  H  H11  1  0.164  0.327  0.449  1.0
  H  H12  1  0.673  0.836  0.449  1.0
  H  H13  1  0.836  0.164  0.551  1.0
  H  H14  1  0.836  0.673  0.551  1.0
  H  H15  1  0.327  0.164  0.551  1.0
  H  H16  1  0.836  0.164  0.949  1.0
  H  H17  1  0.836  0.673  0.949  1.0
  H  H18  1  0.327  0.164  0.949  1.0
  H  H19  1  0.164  0.836  0.051  1.0
  H  H20  1  0.164  0.327  0.051  1.0
  H  H21  1  0.673  0.836  0.051  1.0
  H  H22  1  0.502  0.498  0.840  1.0
  H  H23  1  0.502  0.004  0.840  1.0
  H  H24  1  0.996  0.498  0.840  1.0
  H  H25  1  0.498  0.502  0.160  1.0
  H  H26  1  0.498  0.996  0.160  1.0
  H  H27  1  0.004  0.502  0.160  1.0
  H  H28  1  0.498  0.502  0.340  1.0
  H  H29  1  0.498  0.996  0.340  1.0
  H  H30  1  0.004  0.502  0.340  1.0
  H  H31  1  0.502  0.498  0.660  1.0
  H  H32  1  0.502  0.004  0.660  1.0
  H  H33  1  0.996  0.498  0.660  1.0
  H  H34  1  0.000  0.000  0.250  1.0
  H  H35  1  0.000  0.000  0.750  1.0
  Os  Os36  1  0.333  0.667  0.396  1.0
  Os  Os37  1  0.667  0.333  0.604  1.0
  Os  Os38  1  0.667  0.333  0.896  1.0
  Os  Os39  1  0.333  0.667  0.104  1.0
[/CIF]
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The compound described by LiMg4Os2H13 crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent H(2) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to one H(3), three equivalent H(1), and six equivalent H(2) atoms. In the second Mg site, Mg(2) is bonded to three equivalent H(2) and nine equivalent H(1) atoms to form MgH12 cuboctahedra that share corners with six equivalent Mg(2)H12 cuboctahedra, faces with three equivalent Mg(2)H12 cuboctahedra, and faces with four equivalent Os(1)H6 octahedra. Os(1) is bonded to three equivalent H(1) and three equivalent H(2) atoms to form OsH6 octahedra that share faces with four equivalent Mg(2)H12 cuboctahedra. There are three inequivalent H sites. In the first H site, H(3) is bonded in a linear geometry to two equivalent Mg(1) atoms. In the second H site, H(1) is bonded to one Mg(1), three equivalent Mg(2), and one Os(1) atom to form a mixture of edge, face, and corner-sharing HMg4Os square pyramids. In the third H site, H(2) is bonded in a 5-coordinate geometry to one Li(1), one Mg(2), two equivalent Mg(1), and one Os(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMg4H13Os2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.727
_cell_length_b   4.727
_cell_length_c   18.485
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   357.781
_cell_formula_units_Z   2
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
  Li  Li0  1  0.333  0.667  0.250  1.0
  Li  Li1  1  0.667  0.333  0.750  1.0
  Mg  Mg2  1  0.000  0.000  0.351  1.0
  Mg  Mg3  1  0.000  0.000  0.649  1.0
  Mg  Mg4  1  0.000  0.000  0.851  1.0
  Mg  Mg5  1  0.000  0.000  0.149  1.0
  Mg  Mg6  1  0.333  0.667  0.948  1.0
  Mg  Mg7  1  0.667  0.333  0.052  1.0
  Mg  Mg8  1  0.667  0.333  0.448  1.0
  Mg  Mg9  1  0.333  0.667  0.552  1.0
  H  H10  1  0.164  0.836  0.449  1.0
  H  H11  1  0.164  0.327  0.449  1.0
  H  H12  1  0.673  0.836  0.449  1.0
  H  H13  1  0.836  0.164  0.551  1.0
  H  H14  1  0.836  0.673  0.551  1.0
  H  H15  1  0.327  0.164  0.551  1.0
  H  H16  1  0.836  0.164  0.949  1.0
  H  H17  1  0.836  0.673  0.949  1.0
  H  H18  1  0.327  0.164  0.949  1.0
  H  H19  1  0.164  0.836  0.051  1.0
  H  H20  1  0.164  0.327  0.051  1.0
  H  H21  1  0.673  0.836  0.051  1.0
  H  H22  1  0.502  0.498  0.840  1.0
  H  H23  1  0.502  0.004  0.840  1.0
  H  H24  1  0.996  0.498  0.840  1.0
  H  H25  1  0.498  0.502  0.160  1.0
  H  H26  1  0.498  0.996  0.160  1.0
  H  H27  1  0.004  0.502  0.160  1.0
  H  H28  1  0.498  0.502  0.340  1.0
  H  H29  1  0.498  0.996  0.340  1.0
  H  H30  1  0.004  0.502  0.340  1.0
  H  H31  1  0.502  0.498  0.660  1.0
  H  H32  1  0.502  0.004  0.660  1.0
  H  H33  1  0.996  0.498  0.660  1.0
  H  H34  1  0.000  0.000  0.250  1.0
  H  H35  1  0.000  0.000  0.750  1.0
  Os  Os36  1  0.333  0.667  0.396  1.0
  Os  Os37  1  0.667  0.333  0.604  1.0
  Os  Os38  1  0.667  0.333  0.896  1.0
  Os  Os39  1  0.333  0.667  0.104  1.0
[/CIF]
.