The material structure described by Cs2MgH4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one H(1), three equivalent H(2), and four equivalent H(3) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one H(1), two equivalent H(2), and four equivalent H(3) atoms. Mg(1) is bonded in a tetrahedral geometry to one H(1), one H(2), and two equivalent H(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Mg(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to two equivalent Cs(2), three equivalent Cs(1), and one Mg(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Mg(1) atom. is represented by the CIF card [CIF]
data_Cs2MgH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.634
_cell_length_b   8.657
_cell_length_c   11.704
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   672.208
_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
  Cs  Cs0  1  0.250  0.159  0.918  1.0
  Cs  Cs1  1  0.250  0.659  0.582  1.0
  Cs  Cs2  1  0.750  0.841  0.082  1.0
  Cs  Cs3  1  0.750  0.341  0.418  1.0
  Cs  Cs4  1  0.250  0.492  0.191  1.0
  Cs  Cs5  1  0.250  0.992  0.309  1.0
  Cs  Cs6  1  0.750  0.508  0.809  1.0
  Cs  Cs7  1  0.750  0.008  0.691  1.0
  Mg  Mg8  1  0.250  0.736  0.912  1.0
  Mg  Mg9  1  0.250  0.236  0.588  1.0
  Mg  Mg10  1  0.750  0.264  0.088  1.0
  Mg  Mg11  1  0.750  0.764  0.412  1.0
  H  H12  1  0.250  0.522  0.913  1.0
  H  H13  1  0.250  0.022  0.587  1.0
  H  H14  1  0.750  0.478  0.087  1.0
  H  H15  1  0.750  0.978  0.413  1.0
  H  H16  1  0.250  0.818  0.060  1.0
  H  H17  1  0.250  0.318  0.440  1.0
  H  H18  1  0.750  0.182  0.940  1.0
  H  H19  1  0.750  0.682  0.560  1.0
  H  H20  1  0.021  0.813  0.841  1.0
  H  H21  1  0.479  0.313  0.659  1.0
  H  H22  1  0.521  0.187  0.159  1.0
  H  H23  1  0.979  0.687  0.341  1.0
  H  H24  1  0.979  0.187  0.159  1.0
  H  H25  1  0.521  0.687  0.341  1.0
  H  H26  1  0.479  0.813  0.841  1.0
  H  H27  1  0.021  0.313  0.659  1.0
[/CIF]
.
The material structure described by Cs2MgH4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one H(1), three equivalent H(2), and four equivalent H(3) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one H(1), two equivalent H(2), and four equivalent H(3) atoms. Mg(1) is bonded in a tetrahedral geometry to one H(1), one H(2), and two equivalent H(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Mg(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to two equivalent Cs(2), three equivalent Cs(1), and one Mg(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Mg(1) atom. is represented by the CIF card [CIF]
data_Cs2MgH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.634
_cell_length_b   8.657
_cell_length_c   11.704
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   672.208
_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
  Cs  Cs0  1  0.250  0.159  0.918  1.0
  Cs  Cs1  1  0.250  0.659  0.582  1.0
  Cs  Cs2  1  0.750  0.841  0.082  1.0
  Cs  Cs3  1  0.750  0.341  0.418  1.0
  Cs  Cs4  1  0.250  0.492  0.191  1.0
  Cs  Cs5  1  0.250  0.992  0.309  1.0
  Cs  Cs6  1  0.750  0.508  0.809  1.0
  Cs  Cs7  1  0.750  0.008  0.691  1.0
  Mg  Mg8  1  0.250  0.736  0.912  1.0
  Mg  Mg9  1  0.250  0.236  0.588  1.0
  Mg  Mg10  1  0.750  0.264  0.088  1.0
  Mg  Mg11  1  0.750  0.764  0.412  1.0
  H  H12  1  0.250  0.522  0.913  1.0
  H  H13  1  0.250  0.022  0.587  1.0
  H  H14  1  0.750  0.478  0.087  1.0
  H  H15  1  0.750  0.978  0.413  1.0
  H  H16  1  0.250  0.818  0.060  1.0
  H  H17  1  0.250  0.318  0.440  1.0
  H  H18  1  0.750  0.182  0.940  1.0
  H  H19  1  0.750  0.682  0.560  1.0
  H  H20  1  0.021  0.813  0.841  1.0
  H  H21  1  0.479  0.313  0.659  1.0
  H  H22  1  0.521  0.187  0.159  1.0
  H  H23  1  0.979  0.687  0.341  1.0
  H  H24  1  0.979  0.187  0.159  1.0
  H  H25  1  0.521  0.687  0.341  1.0
  H  H26  1  0.479  0.813  0.841  1.0
  H  H27  1  0.021  0.313  0.659  1.0
[/CIF]
.