cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1278369
title: Materials Data on NaH3O2 by Materials Project

description: NaOHH2O crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two NaOHH2O sheets oriented in the (0, 1, 0) direction. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to two H1+ and four O2- atoms. There are one shorter (2.46 Å) and one longer (2.48 Å) Na–H bond lengths. There are a spread of Na–O bond distances ranging from 2.33–2.38 Å. In the second Na1+ site, Na1+ is bonded in a 3-coordinate geometry to two H1+ and four O2- atoms. There are one shorter (2.40 Å) and one longer (2.48 Å) Na–H bond lengths. There are a spread of Na–O bond distances ranging from 2.31–2.42 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 1.02 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 1.02 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 1.01 Å. In the fourth H1+ site, H1+ is bonded in a distorted single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 1.02 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+ and one H1+ atom.
DOI: 10.17188/1278370
title: Materials Data on Lu(HO)3 by Materials Project

description: Lu(OH)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six O2- atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are two shorter (2.23 Å) and four longer (2.24 Å) Lu–O bond lengths. In the second Lu3+ site, Lu3+ is bonded to six equivalent O2- atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Lu–O bond lengths are 2.23 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Lu3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Lu3+ and one H1+ atom.
DOI: 10.17188/1278371
title: Materials Data on La(HO)3 by Materials Project

description: La(OH)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.58 Å) and six longer (2.60 Å) La–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a single-bond geometry to three equivalent La3+ and one H1+ atom.
DOI: 10.17188/1278372
title: Materials Data on Nd(HO)3 by Materials Project

description: Nd(OH)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.52 Å) and six longer (2.54 Å) Nd–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a single-bond geometry to three equivalent Nd3+ and one H1+ atom.
DOI: 10.17188/1278373
title: Materials Data on Ba2TbNbO6 by Materials Project

description: Ba2TbNbO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent TbO6 octahedra, and faces with four equivalent NbO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.85–3.24 Å. Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–15°. There are two shorter (2.27 Å) and four longer (2.28 Å) Tb–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent TbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–15°. All Nb–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one Tb3+, and one Nb5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Tb3+, and one Nb5+ atom.
DOI: 10.17188/1278374
title: Materials Data on Sm(HO)3 by Materials Project

description: Sm(OH)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.49 Å) and six longer (2.50 Å) Sm–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a single-bond geometry to three equivalent Sm3+ and one H1+ atom.
DOI: 10.17188/1278375
title: Materials Data on Nd(HO)3 by Materials Project

description: Nd(OH)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.52–2.57 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three equivalent Nd3+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Nd3+ and one H1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Nd3+ and one H1+ atom.
DOI: 10.17188/1278376
title: Materials Data on AlHO2 by Materials Project

description: AlOOH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Al–O bond distances ranging from 1.87–2.01 Å. H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.70 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Al3+ and one H1+ atom. In the second O2- site, O2- is bonded to three equivalent Al3+ and one H1+ atom to form distorted corner-sharing OAl3H tetrahedra.
DOI: 10.17188/1278377
title: Materials Data on V2H3O5 (SG:8) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1278378
title: Materials Data on La(HO)3 by Materials Project

description: La(OH)3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.57–2.64 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.56–2.68 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three La3+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three La3+ and one H1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three La3+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to three La3+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to three La3+ and one H1+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to three La3+ and one H1+ atom.
DOI: 10.17188/1278379
title: Materials Data on Sm(HO)3 by Materials Project

description: Sm(OH)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sm–O bond distances ranging from 2.47–2.59 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three equivalent Sm3+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Sm3+ and one H1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Sm3+ and one H1+ atom.
DOI: 10.17188/1278380
title: Materials Data on Mn2HO4 (SG:26) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1278381
title: Materials Data on Tb(HO)3 by Materials Project

description: Tb(OH)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Tb3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.41–2.61 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three equivalent Tb3+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Tb3+ and one H1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Tb3+ and one H1+ atom.
DOI: 10.17188/1278382
title: Materials Data on Tb(HO)3 (SG:176) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1278383
title: Materials Data on AlHO2 by Materials Project

description: AlOOH crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two AlOOH sheets oriented in the (0, 0, 1) direction. Al3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are a spread of Al–O bond distances ranging from 1.89–1.96 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Al3+ atoms to form a mixture of edge and corner-sharing OAl4 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Al3+ and one H1+ atom.
DOI: 10.17188/1278384
title: Materials Data on H2SO4 by Materials Project

description: H2SO4 is Protactinium-like structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four sulfuric acid molecules. there are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.44–1.58 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one H1+ and one S6+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one H1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom.
DOI: 10.17188/1278385
title: Materials Data on Pr(HO)3 by Materials Project

description: Pr(OH)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.55 Å) and six longer (2.57 Å) Pr–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a single-bond geometry to three equivalent Pr3+ and one H1+ atom.
DOI: 10.17188/1278386
title: Materials Data on Pr(HO)3 by Materials Project

description: Pr(OH)3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.54–2.62 Å. In the second Pr3+ site, Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.53–2.66 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three Pr3+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three Pr3+ and one H1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three Pr3+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to three Pr3+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to three Pr3+ and one H1+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to three Pr3+ and one H1+ atom.
DOI: 10.17188/1278387
title: Materials Data on NaH9O5 by Materials Project

description: Na2H12O7(H2O)3 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of three water molecules and one Na2H12O7 sheet oriented in the (0, 0, 1) direction. In the Na2H12O7 sheet, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to three H1+ and four O2- atoms. There are a spread of Na–H bond distances ranging from 2.23–2.53 Å. There are a spread of Na–O bond distances ranging from 2.29–2.43 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to one H1+ and five O2- atoms. The Na–H bond length is 2.26 Å. There are a spread of Na–O bond distances ranging from 2.36–2.55 Å. There are twelve inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the fourth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.57 Å) H–O bond length. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the seventh H1+ site, H1+ is bonded in a 2-coordinate geometry to two Na1+ and two O2- atoms. There is one shorter (1.04 Å) and one longer (1.54 Å) H–O bond length. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to two equivalent Na1+ and one O2- atom. The H–O bond length is 0.98 Å. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the eleventh H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.05 Å) and one longer (1.52 Å) H–O bond length. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted tetrahedral geometry to one Na1+ and three H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a water-like geometry to one Na1+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+ and two H1+ atoms. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms. In the seventh O2- site, O2- is bonded in a water-like geometry to two H1+ atoms.
DOI: 10.17188/1278388
title: Materials Data on VHO3 (SG:1) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1278389
title: Materials Data on Tm(HO)3 by Materials Project

description: Tm(HO)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Tm3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tm–O bond distances ranging from 2.36–2.67 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three equivalent Tm3+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Tm3+ and one H1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Tm3+ and one H1+ atom.
DOI: 10.17188/1278390
title: Materials Data on Eu(HO)3 by Materials Project

description: Eu(OH)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Eu3+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are six shorter (2.50 Å) and three longer (2.51 Å) Eu–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a single-bond geometry to three equivalent Eu3+ and one H1+ atom.
DOI: 10.17188/1278391
title: Materials Data on Lu(HO)3 by Materials Project

description: Lu(OH)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six O2- atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are four shorter (2.23 Å) and two longer (2.25 Å) Lu–O bond lengths. In the second Lu3+ site, Lu3+ is bonded to six equivalent O2- atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Lu–O bond lengths are 2.24 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Lu3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Lu3+ and one H1+ atom.
DOI: 10.17188/1278392
title: Materials Data on Tm(HO)3 by Materials Project

description: Tm(HO)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Tm3+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are six shorter (2.37 Å) and three longer (2.47 Å) Tm–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a single-bond geometry to three equivalent Tm3+ and one H1+ atom.