The crystal structure described by SrMgH4 crystallizes in the orthorhombic Cmc2_1 space group. Sr(1) is bonded in a 9-coordinate geometry to one H(3), two equivalent H(4), three equivalent H(1), and three equivalent H(2) atoms. Mg(1) is bonded to one H(1), one H(2), two equivalent H(3), and two equivalent H(4) atoms to form corner-sharing MgH6 octahedra. The corner-sharing octahedral tilt angles range from 13-44°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one Mg(1) atom. In the second H site, H(2) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one Mg(1) atom. In the third H site, H(3) is bonded in a distorted T-shaped geometry to one Sr(1) and two equivalent Mg(1) atoms. In the fourth H site, H(4) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_SrMgH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.022
_cell_length_b   7.022
_cell_length_c   5.576
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   32.736
_symmetry_Int_Tables_number   1
_cell_volume   148.706
_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
  Sr  Sr0  1  0.849  0.849  0.755  1.0
  Sr  Sr1  1  0.151  0.151  0.255  1.0
  Mg  Mg2  1  0.585  0.585  0.709  1.0
  Mg  Mg3  1  0.415  0.415  0.209  1.0
  H  H4  1  0.666  0.666  0.985  1.0
  H  H5  1  0.334  0.334  0.485  1.0
  H  H6  1  0.700  0.700  0.508  1.0
  H  H7  1  0.300  0.300  0.008  1.0
  H  H8  1  0.926  0.926  0.178  1.0
  H  H9  1  0.074  0.074  0.678  1.0
  H  H10  1  0.461  0.461  0.867  1.0
  H  H11  1  0.539  0.539  0.367  1.0
[/CIF]
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The crystal structure described by SrMgH4 crystallizes in the orthorhombic Cmc2_1 space group. Sr(1) is bonded in a 9-coordinate geometry to one H(3), two equivalent H(4), three equivalent H(1), and three equivalent H(2) atoms. Mg(1) is bonded to one H(1), one H(2), two equivalent H(3), and two equivalent H(4) atoms to form corner-sharing MgH6 octahedra. The corner-sharing octahedral tilt angles range from 13-44°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one Mg(1) atom. In the second H site, H(2) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one Mg(1) atom. In the third H site, H(3) is bonded in a distorted T-shaped geometry to one Sr(1) and two equivalent Mg(1) atoms. In the fourth H site, H(4) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_SrMgH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.022
_cell_length_b   7.022
_cell_length_c   5.576
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   32.736
_symmetry_Int_Tables_number   1
_cell_volume   148.706
_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
  Sr  Sr0  1  0.849  0.849  0.755  1.0
  Sr  Sr1  1  0.151  0.151  0.255  1.0
  Mg  Mg2  1  0.585  0.585  0.709  1.0
  Mg  Mg3  1  0.415  0.415  0.209  1.0
  H  H4  1  0.666  0.666  0.985  1.0
  H  H5  1  0.334  0.334  0.485  1.0
  H  H6  1  0.700  0.700  0.508  1.0
  H  H7  1  0.300  0.300  0.008  1.0
  H  H8  1  0.926  0.926  0.178  1.0
  H  H9  1  0.074  0.074  0.678  1.0
  H  H10  1  0.461  0.461  0.867  1.0
  H  H11  1  0.539  0.539  0.367  1.0
[/CIF]
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