The compound described by MgNiHO2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 5-coordinate geometry to two equivalent O(1) and three equivalent O(2) atoms. Ni(1) is bonded in a 4-coordinate geometry to one H(1), one O(2), and two equivalent O(1) atoms. H(1) is bonded in a single-bond geometry to one Ni(1) and one O(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Mg(1), two equivalent Ni(1), and one H(1) atom. In the second O site, O(2) is bonded to three equivalent Mg(1) and one Ni(1) atom to form corner-sharing OMg3Ni tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNiHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.381
_cell_length_b   2.985
_cell_length_c   5.736
_cell_angle_alpha   90.000
_cell_angle_beta   81.273
_cell_angle_gamma   63.808
_symmetry_Int_Tables_number   1
_cell_volume   51.193
_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
  Mg  Mg0  1  0.986  0.007  0.610  1.0
  Ni  Ni1  1  0.387  0.807  0.055  1.0
  H  H2  1  0.884  0.558  0.261  1.0
  O  O3  1  0.178  0.411  0.316  1.0
  O  O4  1  0.566  0.717  0.724  1.0
[/CIF]
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The compound described by MgNiHO2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 5-coordinate geometry to two equivalent O(1) and three equivalent O(2) atoms. Ni(1) is bonded in a 4-coordinate geometry to one H(1), one O(2), and two equivalent O(1) atoms. H(1) is bonded in a single-bond geometry to one Ni(1) and one O(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Mg(1), two equivalent Ni(1), and one H(1) atom. In the second O site, O(2) is bonded to three equivalent Mg(1) and one Ni(1) atom to form corner-sharing OMg3Ni tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNiHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.381
_cell_length_b   2.985
_cell_length_c   5.736
_cell_angle_alpha   90.000
_cell_angle_beta   81.273
_cell_angle_gamma   63.808
_symmetry_Int_Tables_number   1
_cell_volume   51.193
_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
  Mg  Mg0  1  0.986  0.007  0.610  1.0
  Ni  Ni1  1  0.387  0.807  0.055  1.0
  H  H2  1  0.884  0.558  0.261  1.0
  O  O3  1  0.178  0.411  0.316  1.0
  O  O4  1  0.566  0.717  0.724  1.0
[/CIF]
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