cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1205088
title: Materials Data on Ho10In20Ni9 by Materials Project

description: Ho10Ni9In20 is beta Plutonium-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to four equivalent Ni and eight In atoms. All Ho–Ni bond lengths are 3.01 Å. There are four shorter (3.25 Å) and four longer (3.34 Å) Ho–In bond lengths. In the second Ho site, Ho is bonded in a 12-coordinate geometry to four equivalent Ni and eight In atoms. All Ho–Ni bond lengths are 2.99 Å. There are four shorter (3.25 Å) and four longer (3.36 Å) Ho–In bond lengths. In the third Ho site, Ho is bonded in a 2-coordinate geometry to three Ni and nine In atoms. There are two shorter (2.89 Å) and one longer (3.38 Å) Ho–Ni bond lengths. There are a spread of Ho–In bond distances ranging from 3.09–3.37 Å. In the fourth Ho site, Ho is bonded in a 11-coordinate geometry to three Ni and eight In atoms. There are two shorter (3.02 Å) and one longer (3.07 Å) Ho–Ni bond lengths. There are a spread of Ho–In bond distances ranging from 3.17–3.38 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to four Ho and five In atoms. There are a spread of Ni–In bond distances ranging from 2.71–2.84 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (2.65 Å) and four longer (2.94 Å) Ni–In bond lengths. In the third Ni site, Ni is bonded in a 10-coordinate geometry to four Ho and six In atoms. There are a spread of Ni–In bond distances ranging from 2.69–2.99 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to five Ho, three Ni, and five In atoms. There are a spread of In–In bond distances ranging from 3.15–3.28 Å. In the second In site, In is bonded in a 2-coordinate geometry to two equivalent Ho, two Ni, and one In atom. In the third In site, In is bonded in a 11-coordinate geometry to four Ho, three Ni, and two equivalent In atoms. In the fourth In site, In is bonded in a 9-coordinate geometry to six Ho and three Ni atoms. In the fifth In site, In is bonded in a 6-coordinate geometry to four Ho and two equivalent Ni atoms.
DOI: 10.17188/1205089
title: Materials Data on Sm2Te4O11 by Materials Project

description: Sm2Te4O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.35–2.65 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.65 Å. In the second Te4+ site, Te4+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.38 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Sm3+ and two Te4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sm3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sm3+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sm3+ and one Te4+ atom.
DOI: 10.17188/1205090
title: Materials Data on Ho5Pb3 by Materials Project

description: Ho5Pb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Ho–Pb bond lengths are 3.23 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Ho–Pb bond distances ranging from 3.10–3.60 Å. Pb is bonded in a 9-coordinate geometry to nine Ho atoms.
DOI: 10.17188/1205091
title: Materials Data on HoSnPd2 by Materials Project

description: HoPd2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Sn atoms. All Ho–Pd bond lengths are 2.94 Å. All Ho–Sn bond lengths are 3.39 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Sn atoms. All Pd–Sn bond lengths are 2.94 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Ho and eight equivalent Pd atoms.
DOI: 10.17188/1205092
title: Materials Data on HoTlPd by Materials Project

description: HoPdTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Pd and six equivalent Tl atoms. There are four shorter (3.05 Å) and one longer (3.16 Å) Ho–Pd bond lengths. There are two shorter (3.21 Å) and four longer (3.36 Å) Ho–Tl bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Tl atoms. All Pd–Tl bond lengths are 2.83 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent Tl atoms. All Pd–Tl bond lengths are 2.91 Å. Tl is bonded in a 10-coordinate geometry to six equivalent Ho and four Pd atoms.
DOI: 10.17188/1205093
title: Materials Data on HoSnPt by Materials Project

description: HoPtSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Pt and six equivalent Sn atoms. All Ho–Pt bond lengths are 3.04 Å. There are two shorter (3.22 Å) and four longer (3.34 Å) Ho–Sn bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.82 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.80 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Ho and four Pt atoms.
DOI: 10.17188/1205094
title: Materials Data on Ho5Rh3 by Materials Project

description: Ho5Rh3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to five equivalent Rh atoms. There are a spread of Ho–Rh bond distances ranging from 2.86–3.38 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Rh atoms. All Ho–Rh bond lengths are 2.97 Å. Rh is bonded in a 9-coordinate geometry to nine Ho atoms.
DOI: 10.17188/1205095
title: Materials Data on Ho5Sn3 by Materials Project

description: Ho5Sn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Ho–Sn bond distances ranging from 3.08–3.56 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Ho–Sn bond lengths are 3.19 Å. Sn is bonded in a 9-coordinate geometry to nine Ho atoms.
DOI: 10.17188/1205096
title: Materials Data on HoZn3 by Materials Project

description: HoZn3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to fourteen Zn atoms. There are a spread of Ho–Zn bond distances ranging from 2.98–3.44 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to four equivalent Ho and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.81 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to five equivalent Ho and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–3.06 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to five equivalent Ho and five Zn atoms.
DOI: 10.17188/1205097
title: Materials Data on YMgAg by Materials Project

description: MgYAg crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four Ag atoms. There are two shorter (2.81 Å) and two longer (2.98 Å) Mg–Ag bond lengths. Y is bonded in a 5-coordinate geometry to five Ag atoms. There are four shorter (3.12 Å) and one longer (3.20 Å) Y–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Y atoms. In the second Ag site, Ag is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Y atoms.
DOI: 10.17188/1205098
title: Materials Data on LiIr3 by Materials Project

description: LiIr3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Li is bonded in a 12-coordinate geometry to ten Ir atoms. There are a spread of Li–Ir bond distances ranging from 2.61–2.78 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Li atoms. In the second Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent Li atoms.
DOI: 10.17188/1205099
title: Materials Data on Mg3Ir by Materials Project

description: Mg3Ir is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Ir atoms. All Mg–Ir bond lengths are 2.64 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to four equivalent Ir atoms. There are one shorter (2.72 Å) and three longer (3.00 Å) Mg–Ir bond lengths. Ir is bonded in a 5-coordinate geometry to eleven Mg atoms.
DOI: 10.17188/1205100
title: Materials Data on KAgO by Materials Project

description: KAgO crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K1+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.73 Å) and two longer (2.79 Å) K–O bond lengths. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.09 Å. O2- is bonded to four equivalent K1+ and two equivalent Ag1+ atoms to form a mixture of corner and edge-sharing OK4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 0–11°.
DOI: 10.17188/1205101
title: Materials Data on PaIr3 by Materials Project

description: PaIr3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa is bonded to twelve equivalent Ir atoms to form PaIr12 cuboctahedra that share corners with twelve equivalent PaIr12 cuboctahedra, edges with twenty-four equivalent IrPa4Ir8 cuboctahedra, faces with six equivalent PaIr12 cuboctahedra, and faces with twelve equivalent IrPa4Ir8 cuboctahedra. All Pa–Ir bond lengths are 2.89 Å. Ir is bonded to four equivalent Pa and eight equivalent Ir atoms to form distorted IrPa4Ir8 cuboctahedra that share corners with twelve equivalent IrPa4Ir8 cuboctahedra, edges with eight equivalent PaIr12 cuboctahedra, edges with sixteen equivalent IrPa4Ir8 cuboctahedra, faces with four equivalent PaIr12 cuboctahedra, and faces with fourteen equivalent IrPa4Ir8 cuboctahedra. All Ir–Ir bond lengths are 2.89 Å.
DOI: 10.17188/1205102
title: Materials Data on TmIr2 by Materials Project

description: TmIr2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twelve equivalent Ir atoms. All Tm–Ir bond lengths are 3.13 Å. Ir is bonded to six equivalent Tm and six equivalent Ir atoms to form a mixture of face, edge, and corner-sharing IrTm6Ir6 cuboctahedra. All Ir–Ir bond lengths are 2.67 Å.
DOI: 10.17188/1205103
title: Materials Data on IrW by Materials Project

description: WIr is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. W is bonded to four equivalent W and eight equivalent Ir atoms to form WIr8W4 cuboctahedra that share corners with eight equivalent IrIr4W8 cuboctahedra, corners with ten equivalent WIr8W4 cuboctahedra, edges with six equivalent WIr8W4 cuboctahedra, edges with twelve equivalent IrIr4W8 cuboctahedra, faces with eight equivalent IrIr4W8 cuboctahedra, and faces with twelve equivalent WIr8W4 cuboctahedra. There are two shorter (2.78 Å) and two longer (2.80 Å) W–W bond lengths. There are a spread of W–Ir bond distances ranging from 2.75–2.82 Å. Ir is bonded to eight equivalent W and four equivalent Ir atoms to form IrIr4W8 cuboctahedra that share corners with eight equivalent WIr8W4 cuboctahedra, corners with ten equivalent IrIr4W8 cuboctahedra, edges with six equivalent IrIr4W8 cuboctahedra, edges with twelve equivalent WIr8W4 cuboctahedra, faces with eight equivalent WIr8W4 cuboctahedra, and faces with twelve equivalent IrIr4W8 cuboctahedra. There are two shorter (2.78 Å) and two longer (2.82 Å) Ir–Ir bond lengths.
DOI: 10.17188/1205104
title: Materials Data on Ir3W by Materials Project

description: WIr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W is bonded to twelve equivalent Ir atoms to form WIr12 cuboctahedra that share corners with six equivalent WIr12 cuboctahedra, corners with twelve equivalent IrIr8W4 cuboctahedra, edges with eighteen equivalent IrIr8W4 cuboctahedra, faces with eight equivalent WIr12 cuboctahedra, and faces with twelve equivalent IrIr8W4 cuboctahedra. There are six shorter (2.74 Å) and six longer (2.78 Å) W–Ir bond lengths. Ir is bonded to four equivalent W and eight equivalent Ir atoms to form IrIr8W4 cuboctahedra that share corners with four equivalent WIr12 cuboctahedra, corners with fourteen equivalent IrIr8W4 cuboctahedra, edges with six equivalent WIr12 cuboctahedra, edges with twelve equivalent IrIr8W4 cuboctahedra, faces with four equivalent WIr12 cuboctahedra, and faces with sixteen equivalent IrIr8W4 cuboctahedra. There are a spread of Ir–Ir bond distances ranging from 2.74–2.78 Å.
DOI: 10.17188/1205105
title: Materials Data on YIr by Materials Project

description: IrY is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Y–Ir bond lengths are 2.98 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Y atoms.
DOI: 10.17188/1205106
title: Materials Data on Zn11Ir2 by Materials Project

description: Ir2Zn11 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ir is bonded in a distorted q6 geometry to twelve Zn atoms. There are a spread of Ir–Zn bond distances ranging from 2.61–2.80 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.66–3.02 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Ir and eleven Zn atoms. There are one shorter (2.62 Å) and two longer (2.68 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 3-coordinate geometry to three equivalent Ir and nine Zn atoms. All Zn–Zn bond lengths are 2.72 Å.
DOI: 10.17188/1205107
title: Materials Data on Zr3Ir by Materials Project

description: Zr3Ir crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a water-like geometry to two equivalent Ir atoms. Both Zr–Ir bond lengths are 2.80 Å. In the second Zr site, Zr is bonded in a distorted water-like geometry to two equivalent Ir atoms. Both Zr–Ir bond lengths are 2.80 Å. In the third Zr site, Zr is bonded in a 4-coordinate geometry to four equivalent Ir atoms. There are two shorter (2.75 Å) and two longer (2.94 Å) Zr–Ir bond lengths. Ir is bonded in a 8-coordinate geometry to eight Zr atoms.
DOI: 10.17188/1205108
title: Materials Data on Zr5Ir3 by Materials Project

description: Zr5Ir3 crystallizes in the hexagonal P6_122 space group. The structure is three-dimensional. there are four inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to four Ir atoms. There are a spread of Zr–Ir bond distances ranging from 2.74–3.00 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Zr–Ir bond distances ranging from 2.80–2.99 Å. In the third Zr site, Zr is bonded in a 5-coordinate geometry to five Ir atoms. There are four shorter (2.77 Å) and one longer (2.93 Å) Zr–Ir bond lengths. In the fourth Zr site, Zr is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Zr–Ir bond distances ranging from 2.73–2.99 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to nine Zr atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Zr atoms.
DOI: 10.17188/1205109
title: Materials Data on TlGeS2 by Materials Project

description: TlGeS2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.18–3.78 Å. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.07–3.93 Å. There are two inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are two shorter (2.38 Å) and one longer (2.41 Å) Ge–S bond lengths. In the second Ge3+ site, Ge3+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.18–2.28 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to four Tl1+ and two Ge3+ atoms. In the second S2- site, S2- is bonded in a 1-coordinate geometry to five Tl1+ and one Ge3+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to three Tl1+ and two Ge3+ atoms.
DOI: 10.17188/1205110
title: Materials Data on CeAl4Ni by Materials Project

description: CeNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 9-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Ce–Ni bond lengths are 3.23 Å. There are a spread of Ce–Al bond distances ranging from 2.99–3.35 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.32–2.50 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to four equivalent Ce and six Al atoms. There are four shorter (2.90 Å) and two longer (2.97 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 1-coordinate geometry to three equivalent Ce, one Ni, and four equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ce, three equivalent Ni, and one Al atom.
DOI: 10.17188/1205112
title: Materials Data on La2Mg17 by Materials Project

description: La2Mg17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to nine Mg and three La atoms. There are a spread of Mg–Mg bond distances ranging from 2.95–3.31 Å. There are a spread of Mg–La bond distances ranging from 3.73–4.01 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to thirteen Mg and one La atom. There are a spread of Mg–Mg bond distances ranging from 3.03–3.46 Å. The Mg–La bond length is 3.57 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent La atoms to form a mixture of distorted face and corner-sharing MgLa2Mg10 cuboctahedra. All Mg–Mg bond lengths are 3.02 Å. Both Mg–La bond lengths are 3.93 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg and two La atoms. There are one shorter (3.03 Å) and one longer (3.19 Å) Mg–Mg bond lengths. There are one shorter (3.60 Å) and one longer (3.67 Å) Mg–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to twenty Mg atoms. In the second La site, La is bonded in a 12-coordinate geometry to eighteen Mg atoms.
DOI: 10.17188/1205113
title: Materials Data on LaPd5 by Materials Project

description: LaPd5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a distorted hexagonal planar geometry to eighteen Pd atoms. There are six shorter (3.12 Å) and twelve longer (3.52 Å) La–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent La and eight Pd atoms to form a mixture of edge, face, and corner-sharing PdLa4Pd8 cuboctahedra. There are four shorter (2.70 Å) and four longer (2.74 Å) Pd–Pd bond lengths. In the second Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent La and nine Pd atoms. All Pd–Pd bond lengths are 3.12 Å.
DOI: 10.17188/1205114
title: Materials Data on LaTlPd by Materials Project

description: LaPdTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. La is bonded in a 11-coordinate geometry to five Pd and six equivalent Tl atoms. There are four shorter (3.16 Å) and one longer (3.29 Å) La–Pd bond lengths. There are two shorter (3.36 Å) and four longer (3.52 Å) La–Tl bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Tl atoms. All Pd–Tl bond lengths are 2.89 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Tl atoms. All Pd–Tl bond lengths are 3.03 Å. Tl is bonded in a 10-coordinate geometry to six equivalent La and four Pd atoms.
DOI: 10.17188/1205115
title: Materials Data on La2Sn5Rh3 by Materials Project

description: La2Rh3Sn5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. La is bonded in a 2-coordinate geometry to one Rh and eight Sn atoms. The La–Rh bond length is 3.35 Å. There are a spread of La–Sn bond distances ranging from 3.23–3.58 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to six Sn atoms. There are four shorter (2.70 Å) and two longer (2.89 Å) Rh–Sn bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to one La and five Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.60–2.71 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent La, three Rh, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.01 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Rh atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to four equivalent La, three Rh, and four Sn atoms. Both Sn–Sn bond lengths are 3.24 Å.