cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1289545
title: Materials Data on Sr2HfO4 by Materials Project

description: Sr2HfO4 crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–3.25 Å. Hf4+ is bonded to six O2- atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedra tilt angles range from 1–15°. There are a spread of Hf–O bond distances ranging from 2.06–2.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to five equivalent Sr2+ and one Hf4+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sr2+ and two equivalent Hf4+ atoms. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Hf4+ atoms to form a mixture of distorted corner and edge-sharing OSr4Hf2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1289546
title: Materials Data on Tb2Pt2O7 by Materials Project

description: Tb2Pt2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.23 Å) and six longer (2.46 Å) Tb–O bond lengths. Pt4+ is bonded to six equivalent O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Pt–O bond lengths are 2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tb3+ and two equivalent Pt4+ atoms to form a mixture of distorted corner and edge-sharing OTb2Pt2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Tb3+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra.
DOI: 10.17188/1289547
title: Materials Data on TiO2 by Materials Project

description: TiO2 is beta Vanadium nitride-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of Ti–O bond distances ranging from 1.89–2.13 Å. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 47–52°. There are a spread of Ti–O bond distances ranging from 1.89–2.15 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Ti4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Ti4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Ti4+ atoms.
DOI: 10.17188/1289548
title: Materials Data on Sm2Ge5Ru3 by Materials Project

description: Sm2Ru3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to six Ru and ten Ge atoms. There are a spread of Sm–Ru bond distances ranging from 3.22–3.52 Å. There are a spread of Sm–Ge bond distances ranging from 3.00–3.48 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 6-coordinate geometry to four equivalent Sm and six Ge atoms. There are four shorter (2.53 Å) and two longer (2.61 Å) Ru–Ge bond lengths. In the second Ru site, Ru is bonded in a 9-coordinate geometry to four equivalent Sm and five Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.45–2.53 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to four equivalent Sm, three Ru, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.73 Å. In the second Ge site, Ge is bonded in a 11-coordinate geometry to four equivalent Sm, three Ru, and four Ge atoms. Both Ge–Ge bond lengths are 2.92 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Ru atoms.
DOI: 10.17188/1289549
title: Materials Data on NaLaO2 by Materials Project

description: NaLaO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent LaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent LaO6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Na–O bond lengths are 2.66 Å. La3+ is bonded to six equivalent O2- atoms to form LaO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent LaO6 octahedra. The corner-sharing octahedral tilt angles are 7°. All La–O bond lengths are 2.45 Å. O2- is bonded to three equivalent Na1+ and three equivalent La3+ atoms to form a mixture of edge and corner-sharing ONa3La3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1289550
title: Materials Data on Li2NbS3 by Materials Project

description: Li2NbS3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with two equivalent LiS6 octahedra, corners with four equivalent NbS6 octahedra, edges with four equivalent NbS6 octahedra, and edges with eight LiS6 octahedra. The corner-sharing octahedra tilt angles range from 1–7°. There are four shorter (2.59 Å) and two longer (2.63 Å) Li–S bond lengths. In the second Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with two equivalent LiS6 octahedra, corners with four equivalent NbS6 octahedra, edges with four equivalent NbS6 octahedra, and edges with eight LiS6 octahedra. The corner-sharing octahedra tilt angles range from 3–6°. There are two shorter (2.59 Å) and four longer (2.61 Å) Li–S bond lengths. In the third Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with six LiS6 octahedra, edges with six LiS6 octahedra, and edges with six equivalent NbS6 octahedra. The corner-sharing octahedra tilt angles range from 2–6°. There are two shorter (2.54 Å) and four longer (2.59 Å) Li–S bond lengths. Nb4+ is bonded to six S2- atoms to form NbS6 octahedra that share corners with six LiS6 octahedra, edges with three equivalent NbS6 octahedra, and edges with nine LiS6 octahedra. The corner-sharing octahedra tilt angles range from 1–7°. There are a spread of Nb–S bond distances ranging from 2.45–2.56 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four Li1+ and two equivalent Nb4+ atoms to form a mixture of edge and corner-sharing SLi4Nb2 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the second S2- site, S2- is bonded to four Li1+ and two equivalent Nb4+ atoms to form a mixture of edge and corner-sharing SLi4Nb2 octahedra. The corner-sharing octahedra tilt angles range from 0–6°.
DOI: 10.17188/1289551
title: Materials Data on Ga3NO3 by Materials Project

description: Ga3NO3 is Spinel-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to two equivalent N3- and four equivalent O2- atoms to form GaN2O4 octahedra that share corners with six equivalent GaNO3 tetrahedra and edges with six GaN2O4 octahedra. Both Ga–N bond lengths are 1.96 Å. All Ga–O bond lengths are 2.10 Å. In the second Ga3+ site, Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent GaNO3 tetrahedra and edges with six equivalent GaN2O4 octahedra. All Ga–O bond lengths are 2.02 Å. In the third Ga3+ site, Ga3+ is bonded to one N3- and three equivalent O2- atoms to form corner-sharing GaNO3 tetrahedra. The corner-sharing octahedra tilt angles range from 55–60°. The Ga–N bond length is 1.92 Å. All Ga–O bond lengths are 1.93 Å. N3- is bonded to four Ga3+ atoms to form distorted corner-sharing NGa4 tetrahedra. O2- is bonded in a rectangular see-saw-like geometry to four Ga3+ atoms.
DOI: 10.17188/1289552
title: Materials Data on Na2CdO3 by Materials Project

description: Na2CdO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent CdO6 octahedra, edges with four equivalent CdO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 7–8°. There are two shorter (2.34 Å) and four longer (2.50 Å) Na–O bond lengths. In the second Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent CdO6 octahedra, edges with four equivalent CdO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 6–8°. There are a spread of Na–O bond distances ranging from 2.37–2.52 Å. In the third Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with six NaO6 octahedra, edges with six NaO6 octahedra, and edges with six equivalent CdO6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Na–O bond lengths are 2.42 Å. Cd is bonded to six O atoms to form CdO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent CdO6 octahedra, and edges with nine NaO6 octahedra. The corner-sharing octahedra tilt angles range from 6–8°. There are four shorter (2.25 Å) and two longer (2.26 Å) Cd–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to four Na and two equivalent Cd atoms to form a mixture of edge and corner-sharing ONa4Cd2 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. In the second O site, O is bonded to four Na and two equivalent Cd atoms to form a mixture of edge and corner-sharing ONa4Cd2 octahedra. The corner-sharing octahedra tilt angles range from 0–6°.
DOI: 10.17188/1289553
title: Materials Data on SmTlO3 by Materials Project

description: SmTlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.65 Å. Tl3+ is bonded to six O2- atoms to form corner-sharing TlO6 octahedra. The corner-sharing octahedra tilt angles range from 45–50°. There are a spread of Tl–O bond distances ranging from 2.21–2.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Tl3+ atoms to form a mixture of distorted corner and edge-sharing OSm2Tl2 trigonal pyramids. In the second O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Tl3+ atoms to form a mixture of distorted corner and edge-sharing OSm2Tl2 trigonal pyramids.
DOI: 10.17188/1289577
title: Materials Data on La2S2O by Materials Project

description: La2S2O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 3-coordinate geometry to five S2- and three equivalent O2- atoms. There are a spread of La–S bond distances ranging from 3.06–3.22 Å. There are two shorter (2.41 Å) and one longer (2.43 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded to five S2- and one O2- atom to form a mixture of distorted corner and edge-sharing LaS5O octahedra. The corner-sharing octahedral tilt angles are 66°. There are a spread of La–S bond distances ranging from 2.88–2.93 Å. The La–O bond length is 2.35 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to five La3+ atoms. O2- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra.
DOI: 10.17188/1289578
title: Materials Data on NaTmO2 by Materials Project

description: NaTmO2 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four TmO6 octahedra, edges with five NaO6 octahedra, and edges with seven TmO6 octahedra. The corner-sharing octahedra tilt angles range from 8–14°. There are a spread of Na–O bond distances ranging from 2.41–2.70 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four TmO6 octahedra, edges with five NaO6 octahedra, and edges with seven TmO6 octahedra. The corner-sharing octahedra tilt angles range from 0–14°. There are a spread of Na–O bond distances ranging from 2.39–2.68 Å. There are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six O2- atoms to form TmO6 octahedra that share corners with two equivalent TmO6 octahedra, corners with four NaO6 octahedra, edges with five TmO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–14°. There are a spread of Tm–O bond distances ranging from 2.26–2.29 Å. In the second Tm3+ site, Tm3+ is bonded to six O2- atoms to form TmO6 octahedra that share corners with two equivalent TmO6 octahedra, corners with four NaO6 octahedra, edges with five TmO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 8–14°. There are a spread of Tm–O bond distances ranging from 2.26–2.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Na1+ and three Tm3+ atoms to form a mixture of distorted edge and corner-sharing ONa3Tm3 octahedra. The corner-sharing octahedra tilt angles range from 2–12°. In the second O2- site, O2- is bonded to three Na1+ and three Tm3+ atoms to form a mixture of edge and corner-sharing ONa3Tm3 octahedra. The corner-sharing octahedra tilt angles range from 3–12°.
DOI: 10.17188/1289579
title: Materials Data on Bi2SeO6 by Materials Project

description: Bi2SeO6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Bi3+ is bonded in a 5-coordinate geometry to nine O2- atoms. There are a spread of Bi–O bond distances ranging from 2.31–2.89 Å. Se6+ is bonded to six O2- atoms to form corner-sharing SeO6 octahedra. The corner-sharing octahedral tilt angles are 31°. There is two shorter (1.75 Å) and four longer (1.97 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Bi3+ and two equivalent Se6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Bi3+ and one Se6+ atom. In the third O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra.
DOI: 10.17188/1289580
title: Materials Data on BaSe3 by Materials Project

description: BaSe3 is Barium trisulfide structured and crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Ba is bonded to twelve Se atoms to form a mixture of distorted face and corner-sharing BaSe12 cuboctahedra. There are a spread of Ba–Se bond distances ranging from 3.41–3.79 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a 5-coordinate geometry to four equivalent Ba and one Se atom. The Se–Se bond length is 2.41 Å. In the second Se site, Se is bonded in a 2-coordinate geometry to four equivalent Ba and two equivalent Se atoms.
DOI: 10.17188/1289581
title: Materials Data on Li3Ti6O13 by Materials Project

description: Li3Ti6O13 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to five O2- atoms to form a mixture of corner and edge-sharing LiO5 square pyramids. There are a spread of Li–O bond distances ranging from 1.99–2.09 Å. In the second Li1+ site, Li1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.99 Å) and two longer (2.06 Å) Li–O bond lengths. There are three inequivalent Ti+3.83+ sites. In the first Ti+3.83+ site, Ti+3.83+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.73–2.49 Å. In the second Ti+3.83+ site, Ti+3.83+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.74–2.40 Å. In the third Ti+3.83+ site, Ti+3.83+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are a spread of Ti–O bond distances ranging from 1.91–2.06 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+ and three Ti+3.83+ atoms to form a mixture of corner and edge-sharing OLi2Ti3 trigonal bipyramids. In the second O2- site, O2- is bonded in a square co-planar geometry to one Li1+ and three equivalent Ti+3.83+ atoms. In the third O2- site, O2- is bonded to one Li1+ and four Ti+3.83+ atoms to form a mixture of distorted corner and edge-sharing OLiTi4 trigonal bipyramids. In the fourth O2- site, O2- is bonded in a linear geometry to two Ti+3.83+ atoms. In the fifth O2- site, O2- is bonded to two equivalent Li1+ and three Ti+3.83+ atoms to form a mixture of distorted corner and edge-sharing OLi2Ti3 trigonal bipyramids. In the sixth O2- site, O2- is bonded in a linear geometry to two Ti+3.83+ atoms. In the seventh O2- site, O2- is bonded in a square co-planar geometry to two equivalent Li1+ and two equivalent Ti+3.83+ atoms.
DOI: 10.17188/1289582
title: Materials Data on La3Ti4O12 by Materials Project

description: La3Ti4O12 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of La–O bond distances ranging from 2.52–3.05 Å. In the second La3+ site, La3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of La–O bond distances ranging from 2.48–3.11 Å. In the third La3+ site, La3+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.51–2.73 Å. Ti+3.75+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 10–26°. There are a spread of Ti–O bond distances ranging from 1.92–2.05 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and two equivalent Ti+3.75+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ and two equivalent Ti+3.75+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+ and two equivalent Ti+3.75+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and two equivalent Ti+3.75+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and two equivalent Ti+3.75+ atoms.
DOI: 10.17188/1289583
title: Materials Data on La2MgO4 by Materials Project

description: La2O3MgO is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.97 Å) and two longer (2.24 Å) Mg–O bond lengths. La3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.31–2.83 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Mg2+ and five equivalent La3+ atoms. In the second O2- site, O2- is bonded to two equivalent Mg2+ and four equivalent La3+ atoms to form a mixture of distorted corner, edge, and face-sharing OLa4Mg2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1289584
title: Materials Data on Al2O3 by Materials Project

description: Al2O3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form distorted AlO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra, corners with four equivalent AlO5 trigonal bipyramids, and an edgeedge with one AlO4 tetrahedra. There is three shorter (1.80 Å) and one longer (1.83 Å) Al–O bond length. In the second Al3+ site, Al3+ is bonded to five O2- atoms to form AlO5 trigonal bipyramids that share corners with four equivalent AlO4 tetrahedra, corners with two equivalent AlO5 trigonal bipyramids, and edges with two equivalent AlO5 trigonal bipyramids. There are a spread of Al–O bond distances ranging from 1.79–1.96 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Al3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Al3+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Al3+ atoms.
DOI: 10.17188/1289585
title: Materials Data on YBr3 by Materials Project

description: YBr3 is Aluminum trichloride structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one YBr3 sheet oriented in the (0, 0, 1) direction. Y3+ is bonded to six Br1- atoms to form edge-sharing YBr6 octahedra. All Y–Br bond lengths are 2.82 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Y3+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Y3+ atoms.
DOI: 10.17188/1289586
title: Materials Data on NaTaO3 by Materials Project

description: NaTaO3 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Na1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.65 Å. Ta5+ is bonded to six equivalent O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Ta–O bond lengths are 2.00 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1289588
title: Materials Data on ErTlO2 by Materials Project

description: ErTlO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er3+ is bonded to six equivalent O2- atoms to form edge-sharing ErO6 octahedra. All Er–O bond lengths are 2.28 Å. Tl1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Tl–O bond lengths are 2.94 Å. O2- is bonded in a 6-coordinate geometry to three equivalent Er3+ and three equivalent Tl1+ atoms.
DOI: 10.17188/1289589
title: Materials Data on SrO by Materials Project

description: SrO crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sr2+ is bonded to five equivalent O2- atoms to form a mixture of corner and edge-sharing SrO5 trigonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.49–2.62 Å. O2- is bonded to five equivalent Sr2+ atoms to form a mixture of corner and edge-sharing OSr5 trigonal bipyramids.