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.
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. The Ga(1)-O(1) bond length is 1.95 Å. The Ga(1)-O(2) bond length is 1.97 Å. The Ga(1)-O(3) bond length is 2.14 Å. The Ga(1)-O(4) bond length is 2.18 Å. The Ga(1)-O(5) bond length is 2.07 Å. The Ga(1)-O(7) bond length is 2.05 Å. 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. The Ga(2)-O(1) bond length is 1.95 Å. The Ga(2)-O(2) bond length is 2.07 Å. The Ga(2)-O(3) bond length is 2.17 Å. The Ga(2)-O(4) bond length is 2.17 Å. The Ga(2)-O(6) bond length is 1.98 Å. The Ga(2)-O(8) bond length is 2.11 Å. 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. The Ga(3)-O(1) bond length is 2.22 Å. The Ga(3)-O(2) bond length is 2.11 Å. The Ga(3)-O(3) bond length is 2.01 Å. The Ga(3)-O(4) bond length is 2.00 Å. The Ga(3)-O(5) bond length is 2.03 Å. The Ga(3)-O(7) bond length is 2.07 Å. 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. The Ga(4)-O(1) bond length is 2.11 Å. The Ga(4)-O(2) bond length is 2.20 Å. The Ga(4)-O(3) bond length is 2.02 Å. The Ga(4)-O(4) bond length is 1.96 Å. The Ga(4)-O(6) bond length is 2.08 Å. The Ga(4)-O(8) bond length is 2.01 Å. 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. The H(1)-O(5) bond length is 0.98 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(6) atom. The H(2)-O(6) bond length is 1.05 Å. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(7) atom. The H(3)-O(7) bond length is 1.01 Å. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(7) and one O(8) atom. The H(4)-O(7) bond length is 1.62 Å. The H(4)-O(8) bond length is 1.05 Å. 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.