cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1275614
title: Materials Data on Ti4FeBi2 by Materials Project

description: Ti4FeBi2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to two equivalent Fe and four equivalent Bi atoms. Both Ti–Fe bond lengths are 2.51 Å. There are a spread of Ti–Bi bond distances ranging from 2.93–3.13 Å. Fe is bonded in a 10-coordinate geometry to eight equivalent Ti and two equivalent Fe atoms. Both Fe–Fe bond lengths are 2.48 Å. Bi is bonded in a 8-coordinate geometry to eight equivalent Ti atoms.
DOI: 10.17188/1275615
title: Materials Data on Tb2Mg3Ni2 by Materials Project

description: Mg3Tb2Ni2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to four equivalent Mg and one Ni atom. All Mg–Mg bond lengths are 3.17 Å. The Mg–Ni bond length is 2.81 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to eight equivalent Mg and two equivalent Tb atoms. Both Mg–Tb bond lengths are 3.72 Å. Tb is bonded in a 6-coordinate geometry to one Mg and six equivalent Ni atoms. There are four shorter (2.79 Å) and two longer (2.95 Å) Tb–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to one Mg, six equivalent Tb, and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.52 Å.
DOI: 10.17188/1275616
title: Materials Data on ZrZn by Materials Project

description: ZnZr is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Zr–Zn bond lengths are 2.90 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Zr atoms.
DOI: 10.17188/1275618
title: Materials Data on Yb3Ge8 by Materials Project

description: Yb3Ge8 is Magnesium tetraboride-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.90–3.39 Å. In the second Yb site, Yb is bonded in a 9-coordinate geometry to eleven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.03–3.54 Å. In the third Yb site, Yb is bonded in a 11-coordinate geometry to eleven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.98–3.24 Å. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to four Yb and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.56–2.60 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four Yb and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.50–2.77 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to five Yb and three Ge atoms. There are one shorter (2.52 Å) and one longer (2.59 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to four Yb and three Ge atoms. There are one shorter (2.53 Å) and one longer (2.54 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to three Yb and four Ge atoms. There are one shorter (2.54 Å) and one longer (2.78 Å) Ge–Ge bond lengths. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to five Yb and three Ge atoms. There are one shorter (2.50 Å) and one longer (2.59 Å) Ge–Ge bond lengths. In the seventh Ge site, Ge is bonded in a 2-coordinate geometry to four Yb and four Ge atoms. There are one shorter (2.80 Å) and one longer (2.96 Å) Ge–Ge bond lengths. In the eighth Ge site, Ge is bonded in a 7-coordinate geometry to three Yb and four Ge atoms. The Ge–Ge bond length is 2.63 Å.
DOI: 10.17188/1275619
title: Materials Data on SiBr4 by Materials Project

description: SiBr4 is Silicon tetrafluoride-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight tetrabromosilane molecules. Si4+ is bonded in a tetrahedral geometry to four Br1- atoms. There are one shorter (2.21 Å) and three longer (2.22 Å) Si–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Si4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Si4+ atom.
DOI: 10.17188/1275620
title: Materials Data on BiSe by Materials Project

description: BiSe crystallizes in the orthorhombic Fmm2 space group. The structure is two-dimensional and consists of two BiSe sheets oriented in the (0, 0, 1) direction. Bi2+ is bonded to five equivalent Se2- atoms to form a mixture of edge and corner-sharing BiSe5 square pyramids. There are a spread of Bi–Se bond distances ranging from 2.95–3.02 Å. Se2- is bonded to five equivalent Bi2+ atoms to form a mixture of distorted edge and corner-sharing SeBi5 square pyramids.
DOI: 10.17188/1275621
title: Materials Data on Ta5Si3 by Materials Project

description: Ta5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Ta–Si bond distances ranging from 2.65–2.94 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ta and four equivalent Si atoms. Both Ta–Ta bond lengths are 2.55 Å. All Ta–Si bond lengths are 2.67 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to ten Ta atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to eight equivalent Ta and two equivalent Si atoms. Both Si–Si bond lengths are 2.55 Å.
DOI: 10.17188/1275622
title: Materials Data on MnTlCl3 by Materials Project

description: TlMnCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent Cl1- atoms to form MnCl6 octahedra that share corners with six equivalent MnCl6 octahedra and faces with eight equivalent TlCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–Cl bond lengths are 2.53 Å. Tl1+ is bonded to twelve equivalent Cl1- atoms to form TlCl12 cuboctahedra that share corners with twelve equivalent TlCl12 cuboctahedra, faces with six equivalent TlCl12 cuboctahedra, and faces with eight equivalent MnCl6 octahedra. All Tl–Cl bond lengths are 3.58 Å. Cl1- is bonded in a distorted linear geometry to two equivalent Mn2+ and four equivalent Tl1+ atoms.
DOI: 10.17188/1275623
title: Materials Data on DyGa3 by Materials Project

description: DyGa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Ga atoms to form DyGa12 cuboctahedra that share corners with twelve equivalent DyGa12 cuboctahedra, edges with twenty-four equivalent GaDy4Ga8 cuboctahedra, faces with six equivalent DyGa12 cuboctahedra, and faces with twelve equivalent GaDy4Ga8 cuboctahedra. All Dy–Ga bond lengths are 3.02 Å. Ga is bonded to four equivalent Dy and eight equivalent Ga atoms to form distorted GaDy4Ga8 cuboctahedra that share corners with twelve equivalent GaDy4Ga8 cuboctahedra, edges with eight equivalent DyGa12 cuboctahedra, edges with sixteen equivalent GaDy4Ga8 cuboctahedra, faces with four equivalent DyGa12 cuboctahedra, and faces with fourteen equivalent GaDy4Ga8 cuboctahedra. All Ga–Ga bond lengths are 3.02 Å.
DOI: 10.17188/1275624
title: Materials Data on La7Os4C9 by Materials Project

description: La7Os4C9 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven C+1.56- atoms. There are a spread of La–C bond distances ranging from 2.69–2.83 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to four C+1.56- atoms. There are a spread of La–C bond distances ranging from 2.63–2.77 Å. In the third La3+ site, La3+ is bonded in a 5-coordinate geometry to five C+1.56- atoms. There are a spread of La–C bond distances ranging from 2.69–2.78 Å. In the fourth La3+ site, La3+ is bonded in a square co-planar geometry to four C+1.56- atoms. There are two shorter (2.64 Å) and two longer (2.71 Å) La–C bond lengths. There are two inequivalent Os+1.75- sites. In the first Os+1.75- site, Os+1.75- is bonded in a trigonal planar geometry to three C+1.56- atoms. All Os–C bond lengths are 1.93 Å. In the second Os+1.75- site, Os+1.75- is bonded in a 3-coordinate geometry to three C+1.56- atoms. There are a spread of Os–C bond distances ranging from 1.95–2.08 Å. There are five inequivalent C+1.56- sites. In the first C+1.56- site, C+1.56- is bonded to four La3+ and two Os+1.75- atoms to form a mixture of corner and edge-sharing CLa4Os2 octahedra. The corner-sharing octahedra tilt angles range from 18–77°. In the second C+1.56- site, C+1.56- is bonded to five La3+ and one C+1.56- atom to form a mixture of distorted corner and edge-sharing CLa5C octahedra. The corner-sharing octahedra tilt angles range from 0–77°. The C–C bond length is 1.33 Å. In the third C+1.56- site, C+1.56- is bonded to four La3+ and two equivalent Os+1.75- atoms to form a mixture of corner and edge-sharing CLa4Os2 octahedra. The corner-sharing octahedra tilt angles range from 14–35°. In the fourth C+1.56- site, C+1.56- is bonded in a 5-coordinate geometry to three La3+, one Os+1.75-, and one C+1.56- atom. In the fifth C+1.56- site, C+1.56- is bonded to four La3+ and two equivalent Os+1.75- atoms to form a mixture of corner and edge-sharing CLa4Os2 octahedra. The corner-sharing octahedra tilt angles range from 0–35°.
DOI: 10.17188/1275625
title: Materials Data on Nb5Ga3 by Materials Project

description: Nb5Ga3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Nb–Ga bond distances ranging from 2.74–2.96 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to two equivalent Nb and four equivalent Ga atoms. Both Nb–Nb bond lengths are 2.55 Å. All Nb–Ga bond lengths are 2.74 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to ten Nb atoms. In the second Ga site, Ga is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.55 Å.
DOI: 10.17188/1275626
title: Materials Data on La23Mg4Rh7 by Materials Project

description: Mg4La23Rh7 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to three Mg and nine La atoms to form a mixture of corner and face-sharing MgLa9Mg3 cuboctahedra. There are one shorter (3.20 Å) and two longer (3.25 Å) Mg–Mg bond lengths. There are a spread of Mg–La bond distances ranging from 3.49–3.77 Å. In the second Mg site, Mg is bonded to three equivalent Mg and nine La atoms to form face-sharing MgLa9Mg3 cuboctahedra. There are a spread of Mg–La bond distances ranging from 3.52–3.75 Å. There are nine inequivalent La sites. In the first La site, La is bonded in a bent 150 degrees geometry to two equivalent Mg and two Rh atoms. There are one shorter (2.87 Å) and one longer (2.94 Å) La–Rh bond lengths. In the second La site, La is bonded in a distorted water-like geometry to one Mg and four Rh atoms. There are two shorter (2.92 Å) and two longer (3.72 Å) La–Rh bond lengths. In the third La site, La is bonded in a 3-coordinate geometry to one Mg and two equivalent Rh atoms. Both La–Rh bond lengths are 3.69 Å. In the fourth La site, La is bonded in a 4-coordinate geometry to two equivalent Mg and two Rh atoms. There are one shorter (3.51 Å) and one longer (3.69 Å) La–Rh bond lengths. In the fifth La site, La is bonded in a 3-coordinate geometry to three Rh atoms. There are two shorter (3.02 Å) and one longer (3.10 Å) La–Rh bond lengths. In the sixth La site, La is bonded in a 3-coordinate geometry to three Mg and three Rh atoms. There are two shorter (2.94 Å) and one longer (2.98 Å) La–Rh bond lengths. In the seventh La site, La is bonded in a distorted bent 150 degrees geometry to two Mg and two equivalent Rh atoms. Both La–Rh bond lengths are 2.93 Å. In the eighth La site, La is bonded in a 3-coordinate geometry to three equivalent Rh atoms. All La–Rh bond lengths are 3.01 Å. In the ninth La site, La is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Rh atoms. All La–Rh bond lengths are 2.94 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to nine La atoms. In the second Rh site, Rh is bonded in a 6-coordinate geometry to eight La atoms. In the third Rh site, Rh is bonded in a 6-coordinate geometry to nine La atoms.
DOI: 10.17188/1275627
title: Materials Data on Ba(SbAu)2 by Materials Project

description: Ba(AuSb)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ba2+ is bonded in a 1-coordinate geometry to eight Au1- and two equivalent Sb atoms. There are a spread of Ba–Au bond distances ranging from 3.45–4.01 Å. Both Ba–Sb bond lengths are 3.63 Å. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 10-coordinate geometry to four equivalent Ba2+, two equivalent Au1-, and four equivalent Sb atoms. Both Au–Au bond lengths are 3.09 Å. There are one shorter (2.86 Å) and three longer (2.87 Å) Au–Sb bond lengths. In the second Au1- site, Au1- is bonded in a 9-coordinate geometry to four equivalent Ba2+ and five Sb atoms. There are a spread of Au–Sb bond distances ranging from 2.75–2.94 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded to four equivalent Au1- atoms to form a mixture of corner and edge-sharing SbAu4 tetrahedra. In the second Sb site, Sb is bonded in a 5-coordinate geometry to two equivalent Ba2+ and five Au1- atoms.
DOI: 10.17188/1275628
title: Materials Data on MnTlCl3 by Materials Project

description: TlMnCl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six Cl1- atoms to form edge-sharing MnCl6 octahedra. There are a spread of Mn–Cl bond distances ranging from 2.44–2.62 Å. Tl1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.27–3.49 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Mn2+ and four equivalent Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and three equivalent Tl1+ atoms. In the third Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three equivalent Mn2+ and one Tl1+ atom.
DOI: 10.17188/1275629
title: Materials Data on AgBr by Materials Project

description: AgBr is Halite, Rock Salt-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ag1+ is bonded to six equivalent Br1- atoms to form a mixture of corner and edge-sharing AgBr6 octahedra. The corner-sharing octahedra tilt angles range from 4–11°. There are a spread of Ag–Br bond distances ranging from 2.88–2.97 Å. Br1- is bonded to six equivalent Ag1+ atoms to form a mixture of corner and edge-sharing BrAg6 octahedra. The corner-sharing octahedra tilt angles range from 4–11°.
DOI: 10.17188/1275630
title: Materials Data on KTmI3 by Materials Project

description: KTmI3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight I atoms. There are six shorter (3.60 Å) and two longer (3.96 Å) K–I bond lengths. Tm is bonded to six I atoms to form a mixture of edge and corner-sharing TmI6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are four shorter (3.06 Å) and two longer (3.07 Å) Tm–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to three equivalent K and two equivalent Tm atoms. In the second I site, I is bonded to two equivalent K and two equivalent Tm atoms to form distorted corner-sharing IK2Tm2 tetrahedra.
DOI: 10.17188/1275632
title: Materials Data on TlGaI4 by Materials Project

description: TlGaI4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.64–4.14 Å. Ga3+ is bonded in a tetrahedral geometry to four I1- atoms. There are three shorter (2.59 Å) and one longer (2.60 Å) Ga–I bond lengths. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent Tl1+ and one Ga3+ atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one Ga3+ atom. In the third I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent Tl1+ and one Ga3+ atom. In the fourth I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one Ga3+ atom.
DOI: 10.17188/1275633
title: Materials Data on Eu(NiSb)2 by Materials Project

description: Eu(NiSb)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Sb3- atoms. All Eu–Sb bond lengths are 3.44 Å. Ni2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing NiSb4 tetrahedra. All Ni–Sb bond lengths are 2.51 Å. Sb3- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four equivalent Ni2+, and one Sb3- atom. The Sb–Sb bond length is 2.95 Å.
DOI: 10.17188/1275634
title: Materials Data on K4Sr2SnAs4 by Materials Project

description: K4Sr2SnAs4 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to four As3- atoms. There are a spread of K–As bond distances ranging from 3.26–3.58 Å. In the second K1+ site, K1+ is bonded to four As3- atoms to form distorted KAs4 trigonal pyramids that share corners with two equivalent SnAs4 tetrahedra, corners with six equivalent KAs4 trigonal pyramids, and an edgeedge with one SnAs4 tetrahedra. There are a spread of K–As bond distances ranging from 3.22–3.38 Å. In the third K1+ site, K1+ is bonded in a 3-coordinate geometry to three As3- atoms. There are two shorter (3.44 Å) and one longer (3.48 Å) K–As bond lengths. Sr2+ is bonded in a 6-coordinate geometry to six As3- atoms. There are a spread of Sr–As bond distances ranging from 3.20–3.80 Å. Sn4+ is bonded to four As3- atoms to form SnAs4 tetrahedra that share corners with two equivalent KAs4 trigonal pyramids and an edgeedge with one KAs4 trigonal pyramid. There are a spread of Sn–As bond distances ranging from 2.66–2.69 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to three equivalent K1+, four equivalent Sr2+, and one Sn4+ atom. In the second As3- site, As3- is bonded in a 7-coordinate geometry to four K1+, four equivalent Sr2+, and one Sn4+ atom. In the third As3- site, As3- is bonded in a 7-coordinate geometry to four K1+, two equivalent Sr2+, and one Sn4+ atom.
DOI: 10.17188/1275635
title: Materials Data on CdI2 by Materials Project

description: CdI2 is trigonal omega-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of nine CdI2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent I1- atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.
DOI: 10.17188/1275636
title: Materials Data on PBr2N by Materials Project

description: PNBr2 crystallizes in the tetragonal P4_2/n space group. The structure is zero-dimensional and consists of two 2,2,4,4,6,6,8,8-octabromo-1,3,5,7,2,4,6,8-tetrazatetraphosphocane-2,4,6,8-tetraium molecules. P5+ is bonded to two equivalent N3- and two Br1- atoms to form corner-sharing PBr2N2 tetrahedra. Both P–N bond lengths are 1.59 Å. Both P–Br bond lengths are 2.21 Å. N3- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom.
DOI: 10.17188/1275637
title: Materials Data on B by Materials Project

description: B is T-50 Boron-like structured and crystallizes in the tetragonal P4_2/nnm space group. The structure is three-dimensional. there are four inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.73–1.89 Å. In the second B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.69–1.77 Å. In the third B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.73 Å) and one longer (1.75 Å) B–B bond length. In the fourth B site, B is bonded in a 5-coordinate geometry to five B atoms.
DOI: 10.13012/b2idb-2224392_v2
title: BEPAM Model Code and CABBI Simulation Results for "Assessing the Returns to Land and Greenhouse Gas Savings from Producing Energy Crops on Conservation Reserve Program Land"

description: This dataset contains BEPAM model code and input data to the replicate the results for "Assessing the Returns to Land and Greenhouse Gas Savings from Producing Energy Crops on Conservation Reserve Program Land." The dataset consists of: (1) The replication codes and data for the BEPAM model. The code file is named as output_0213-2020_Complete_daycent-agversion-[rental payment level]%_[biomass price].gms. (BEPAM-CRP model-Sep2020.zip) (2) Simulation results from the BEPAM model (BEPAM_Simulation_Results.csv) * Item (1) is in GAMS format. Item (2) is in text format.
DOI: 10.17188/1275638
title: Materials Data on Yb2In13Pd6 by Materials Project

description: Yb2Pd6In13 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Yb is bonded in a 10-coordinate geometry to four Pd and eleven In atoms. There are two shorter (3.31 Å) and two longer (3.35 Å) Yb–Pd bond lengths. There are a spread of Yb–In bond distances ranging from 3.26–3.52 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Pd–In bond distances ranging from 2.71–3.05 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Yb and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.78–2.87 Å. In the third Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Yb and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.76–2.85 Å. There are seven inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to three equivalent Yb, four Pd, and five In atoms. There are four shorter (3.24 Å) and one longer (3.29 Å) In–In bond lengths. In the second In site, In is bonded in a 4-coordinate geometry to one Yb, four Pd, and one In atom. In the third In site, In is bonded in a 5-coordinate geometry to one Yb and five Pd atoms. In the fourth In site, In is bonded in a 12-coordinate geometry to two equivalent Yb and three Pd atoms. In the fifth In site, In is bonded in a 12-coordinate geometry to two equivalent Yb and three Pd atoms. In the sixth In site, In is bonded in a distorted trigonal non-coplanar geometry to one Yb, three Pd, and two equivalent In atoms. In the seventh In site, In is bonded in a distorted linear geometry to two equivalent Yb and two equivalent Pd atoms.