The material described by GaOOH crystallizes in the triclinic P1 space group. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form a mixture of distorted corner and edge-sharing GaO6 pentagonal pyramids. In the second Ga site, Ga(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. In the third Ga site, Ga(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form a mixture of distorted corner and edge-sharing GaO6 pentagonal pyramids. In the fourth Ga site, Ga(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form a mixture of distorted corner and edge-sharing GaO6 pentagonal pyramids. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(6) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(7) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(7) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Ga(1), one Ga(2), one Ga(3), and one Ga(4) atom to form a mixture of distorted corner and edge-sharing OGa4 tetrahedra. In the second O site, O(2) is bonded to one Ga(1), one Ga(2), one Ga(3), and one Ga(4) atom to form a mixture of distorted corner and edge-sharing OGa4 tetrahedra. In the third O site, O(3) is bonded to one Ga(1), one Ga(2), one Ga(3), and one Ga(4) atom to form a mixture of distorted corner and edge-sharing OGa4 tetrahedra. In the fourth O site, O(4) is bonded to one Ga(1), one Ga(2), one Ga(3), and one Ga(4) atom to form a mixture of corner and edge-sharing OGa4 tetrahedra. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ga(1), one Ga(3), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ga(2), one Ga(4), and one H(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ga(1), one Ga(3), one H(3), and one H(4) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ga(2), one Ga(4), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.212
_cell_length_b   6.066
_cell_length_c   5.246
_cell_angle_alpha   66.164
_cell_angle_beta   63.270
_cell_angle_gamma   50.566
_symmetry_Int_Tables_number   1
_cell_volume   134.334
_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
  Ga  Ga0  1  0.327  0.677  0.055  1.0
  Ga  Ga1  1  0.937  0.073  0.671  1.0
  Ga  Ga2  1  0.186  0.321  0.921  1.0
  Ga  Ga3  1  0.571  0.927  0.320  1.0
  H  H4  1  0.716  0.491  0.214  1.0
  H  H5  1  0.748  0.534  0.682  1.0
  H  H6  1  0.038  0.669  0.529  1.0
  H  H7  1  0.570  0.217  0.498  1.0
  O  O8  1  0.267  0.999  0.731  1.0
  O  O9  1  0.001  0.727  0.008  1.0
  O  O10  1  0.244  0.984  0.248  1.0
  O  O11  1  0.520  0.247  0.991  1.0
  O  O12  1  0.759  0.486  0.012  1.0
  O  O13  1  0.753  0.491  0.503  1.0
  O  O14  1  0.249  0.505  0.487  1.0
  O  O15  1  0.742  0.999  0.500  1.0
[/CIF]
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The material described by GaOOH crystallizes in the triclinic P1 space group. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form a mixture of distorted corner and edge-sharing GaO6 pentagonal pyramids. In the second Ga site, Ga(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. In the third Ga site, Ga(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form a mixture of distorted corner and edge-sharing GaO6 pentagonal pyramids. In the fourth Ga site, Ga(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form a mixture of distorted corner and edge-sharing GaO6 pentagonal pyramids. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(6) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(7) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(7) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Ga(1), one Ga(2), one Ga(3), and one Ga(4) atom to form a mixture of distorted corner and edge-sharing OGa4 tetrahedra. In the second O site, O(2) is bonded to one Ga(1), one Ga(2), one Ga(3), and one Ga(4) atom to form a mixture of distorted corner and edge-sharing OGa4 tetrahedra. In the third O site, O(3) is bonded to one Ga(1), one Ga(2), one Ga(3), and one Ga(4) atom to form a mixture of distorted corner and edge-sharing OGa4 tetrahedra. In the fourth O site, O(4) is bonded to one Ga(1), one Ga(2), one Ga(3), and one Ga(4) atom to form a mixture of corner and edge-sharing OGa4 tetrahedra. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ga(1), one Ga(3), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ga(2), one Ga(4), and one H(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ga(1), one Ga(3), one H(3), and one H(4) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ga(2), one Ga(4), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.212
_cell_length_b   6.066
_cell_length_c   5.246
_cell_angle_alpha   66.164
_cell_angle_beta   63.270
_cell_angle_gamma   50.566
_symmetry_Int_Tables_number   1
_cell_volume   134.334
_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
  Ga  Ga0  1  0.327  0.677  0.055  1.0
  Ga  Ga1  1  0.937  0.073  0.671  1.0
  Ga  Ga2  1  0.186  0.321  0.921  1.0
  Ga  Ga3  1  0.571  0.927  0.320  1.0
  H  H4  1  0.716  0.491  0.214  1.0
  H  H5  1  0.748  0.534  0.682  1.0
  H  H6  1  0.038  0.669  0.529  1.0
  H  H7  1  0.570  0.217  0.498  1.0
  O  O8  1  0.267  0.999  0.731  1.0
  O  O9  1  0.001  0.727  0.008  1.0
  O  O10  1  0.244  0.984  0.248  1.0
  O  O11  1  0.520  0.247  0.991  1.0
  O  O12  1  0.759  0.486  0.012  1.0
  O  O13  1  0.753  0.491  0.503  1.0
  O  O14  1  0.249  0.505  0.487  1.0
  O  O15  1  0.742  0.999  0.500  1.0
[/CIF]
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