cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1276541
title: Materials Data on Ce2ZnNi2 by Materials Project

description: Ce2Ni2Zn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Zn atoms. There are two shorter (2.75 Å) and four longer (2.99 Å) Ce–Ni bond lengths. There are two shorter (3.15 Å) and two longer (3.21 Å) Ce–Zn bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Ce, one Ni, and two equivalent Zn atoms. The Ni–Ni bond length is 2.55 Å. Both Ni–Zn bond lengths are 2.64 Å. Zn is bonded to eight equivalent Ce and four equivalent Ni atoms to form a mixture of distorted edge and face-sharing ZnCe8Ni4 cuboctahedra.
DOI: 10.17188/1276542
title: Materials Data on HfInAu2 by Materials Project

description: HfAu2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Hf–Au bond lengths are 2.94 Å. Au is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent In atoms. All Au–In bond lengths are 2.94 Å. In is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1276543
title: Materials Data on KC4N3 by Materials Project

description: K(CN)3C crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two methane molecules and one K(CN)3 ribbon oriented in the (1, 0, 0) direction. In the K(CN)3 ribbon, K1+ is bonded to seven N3- atoms to form a mixture of distorted face and edge-sharing KN7 pentagonal bipyramids. There are a spread of K–N bond distances ranging from 2.88–3.09 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the third C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C2+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+ and one C2+ atom. In the third N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+ and one C2+ atom.
DOI: 10.17188/1276544
title: Materials Data on K2SnBr6 by Materials Project

description: K2SnBr6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.45–3.81 Å. Sn4+ is bonded in an octahedral geometry to six Br1- atoms. There are two shorter (2.65 Å) and four longer (2.66 Å) Sn–Br bond lengths. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Sn4+ atom. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Sn4+ atom. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Sn4+ atom.
DOI: 10.17188/1276545
title: Materials Data on KB(CN)4 by Materials Project

description: K(CN)4B crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional and consists of four boron molecules and one K(CN)4 framework. In the K(CN)4 framework, K1+ is bonded in a distorted body-centered cubic geometry to eight equivalent N3- atoms. There are four shorter (2.95 Å) and four longer (3.24 Å) K–N bond lengths. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a 1-coordinate geometry to two equivalent K1+ and one C2+ atom.
DOI: 10.17188/1276546
title: Materials Data on Cs4Pb9 by Materials Project

description: Cs4Pb9 is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Cs sites. In the first Cs site, Cs is bonded in a 8-coordinate geometry to eight Pb atoms. There are a spread of Cs–Pb bond distances ranging from 3.94–4.26 Å. In the second Cs site, Cs is bonded in a 9-coordinate geometry to nine Pb atoms. There are a spread of Cs–Pb bond distances ranging from 4.17–4.47 Å. In the third Cs site, Cs is bonded in a 7-coordinate geometry to ten Pb atoms. There are a spread of Cs–Pb bond distances ranging from 3.98–4.61 Å. In the fourth Cs site, Cs is bonded in a 7-coordinate geometry to eight Pb atoms. There are a spread of Cs–Pb bond distances ranging from 3.99–4.65 Å. There are nine inequivalent Pb sites. In the first Pb site, Pb is bonded in a 1-coordinate geometry to five Cs and four Pb atoms. There are a spread of Pb–Pb bond distances ranging from 3.16–3.21 Å. In the second Pb site, Pb is bonded in a 9-coordinate geometry to four Cs and five Pb atoms. There are a spread of Pb–Pb bond distances ranging from 3.14–3.50 Å. In the third Pb site, Pb is bonded in a 8-coordinate geometry to four Cs and four Pb atoms. There are one shorter (3.21 Å) and one longer (3.24 Å) Pb–Pb bond lengths. In the fourth Pb site, Pb is bonded in a 7-coordinate geometry to three Cs and four Pb atoms. There are a spread of Pb–Pb bond distances ranging from 3.14–3.20 Å. In the fifth Pb site, Pb is bonded in a 9-coordinate geometry to four Cs and five Pb atoms. There are a spread of Pb–Pb bond distances ranging from 3.17–3.33 Å. In the sixth Pb site, Pb is bonded in a 8-coordinate geometry to three Cs and five Pb atoms. The Pb–Pb bond length is 3.43 Å. In the seventh Pb site, Pb is bonded in a 9-coordinate geometry to four Cs and five Pb atoms. The Pb–Pb bond length is 3.24 Å. In the eighth Pb site, Pb is bonded in a 8-coordinate geometry to four Cs and four Pb atoms. The Pb–Pb bond length is 3.21 Å. In the ninth Pb site, Pb is bonded in a 1-coordinate geometry to four Cs and four Pb atoms.
DOI: 10.17188/1276547
title: Materials Data on Dy5Sn13 by Materials Project

description: Dy5Sn13 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Dy–Sn bond distances ranging from 3.21–3.52 Å. In the second Dy site, Dy is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Dy–Sn bond distances ranging from 3.19–3.45 Å. In the third Dy site, Dy is bonded to twelve Sn atoms to form a mixture of corner and face-sharing DySn12 cuboctahedra. There are four shorter (3.14 Å) and eight longer (3.39 Å) Dy–Sn bond lengths. There are seven inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to two equivalent Dy and five equivalent Sn atoms. There are one shorter (2.92 Å) and four longer (3.14 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 8-coordinate geometry to six Dy and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.00 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to six Dy and two equivalent Sn atoms. In the fourth Sn site, Sn is bonded in a 7-coordinate geometry to two equivalent Dy and five equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a 10-coordinate geometry to four Dy and six Sn atoms. There are four shorter (3.14 Å) and two longer (3.41 Å) Sn–Sn bond lengths. In the sixth Sn site, Sn is bonded in a 10-coordinate geometry to four Dy and six Sn atoms. Both Sn–Sn bond lengths are 3.36 Å. In the seventh Sn site, Sn is bonded in a square co-planar geometry to four equivalent Dy and eight Sn atoms.
DOI: 10.17188/1276548
title: Materials Data on SiBr4 by Materials Project

description: SiBr4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tetrabromosilane molecules. Si4+ is bonded in a tetrahedral geometry to four Br1- atoms. All Si–Br bond lengths are 2.21 Å. There are four 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. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Si4+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Si4+ atom.
DOI: 10.17188/1276549
title: Materials Data on Ti(AlCl4)2 by Materials Project

description: Ti(AlCl4)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two Ti(AlCl4)2 ribbons oriented in the (0, 0, 1) direction. Ti2+ is bonded to six Cl1- atoms to form TiCl6 octahedra that share corners with two equivalent AlCl4 tetrahedra and edges with two equivalent AlCl4 tetrahedra. There are a spread of Ti–Cl bond distances ranging from 2.55–2.57 Å. Al3+ is bonded to four Cl1- atoms to form AlCl4 tetrahedra that share a cornercorner with one TiCl6 octahedra and an edgeedge with one TiCl6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of Al–Cl bond distances ranging from 2.10–2.20 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Ti2+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to one Ti2+ and one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to one Ti2+ and one Al3+ atom.
DOI: 10.17188/1276550
title: Materials Data on Cs2Te3As by Materials Project

description: Cs2AsTe3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Cs2AsTe3 sheet oriented in the (1, 0, 0) direction. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to one As2- atom. The Cs–As bond length is 4.27 Å. In the second Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to one As2- and five Te atoms. The Cs–As bond length is 3.92 Å. There are a spread of Cs–Te bond distances ranging from 3.87–3.98 Å. As2- is bonded in a 4-coordinate geometry to two Cs1+, one As2-, and two Te atoms. The As–As bond length is 2.46 Å. There are one shorter (2.59 Å) and one longer (2.77 Å) As–Te bond lengths. There are three inequivalent Te sites. In the first Te site, Te is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one As2- atom. In the second Te site, Te is bonded in a distorted water-like geometry to one Cs1+, one As2-, and one Te atom. The Te–Te bond length is 2.81 Å. In the third Te site, Te is bonded in a 2-coordinate geometry to two equivalent Cs1+ and one Te atom.
DOI: 10.17188/1276551
title: Materials Data on K2ZnN12 by Materials Project

description: K2ZnN12 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N+0.33- atoms. There are a spread of K–N bond distances ranging from 2.80–3.16 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N+0.33- atoms. There are a spread of K–N bond distances ranging from 2.81–3.43 Å. Zn2+ is bonded in a tetrahedral geometry to four N+0.33- atoms. There are a spread of Zn–N bond distances ranging from 2.01–2.03 Å. There are twelve inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 4-coordinate geometry to two K1+, one Zn2+, and one N+0.33- atom. The N–N bond length is 1.21 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. There is one shorter (1.17 Å) and one longer (1.20 Å) N–N bond length. In the third N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to two K1+ and one N+0.33- atom. The N–N bond length is 1.17 Å. In the fourth N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to three K1+, one Zn2+, and one N+0.33- atom. The N–N bond length is 1.21 Å. In the fifth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.17 Å. In the sixth N+0.33- site, N+0.33- is bonded in a bent 150 degrees geometry to one K1+ and one N+0.33- atom. In the seventh N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to two K1+, one Zn2+, and one N+0.33- atom. In the eighth N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to two K1+ and one N+0.33- atom. In the ninth N+0.33- site, N+0.33- is bonded in a distorted tetrahedral geometry to two K1+, one Zn2+, and one N+0.33- atom. The N–N bond length is 1.21 Å. In the tenth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. In the eleventh N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to two K1+ and one N+0.33- atom. The N–N bond length is 1.17 Å. In the twelfth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms.
DOI: 10.17188/1276552
title: Materials Data on CeAs2Pd3 by Materials Project

description: CePd3As2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 11-coordinate geometry to eleven Pd and six As atoms. There are a spread of Ce–Pd bond distances ranging from 3.24–3.64 Å. There are four shorter (3.17 Å) and two longer (3.26 Å) Ce–As bond lengths. In the second Ce site, Ce is bonded to six Pd and six As atoms to form CeAs6Pd6 cuboctahedra that share edges with four equivalent PdCe4As4Pd4 cuboctahedra and faces with two equivalent CeAs6Pd6 cuboctahedra. There are four shorter (3.21 Å) and two longer (3.23 Å) Ce–Pd bond lengths. There are four shorter (3.18 Å) and two longer (3.19 Å) Ce–As bond lengths. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to three Ce, five Pd, and four As atoms. There are a spread of Pd–Pd bond distances ranging from 2.85–3.02 Å. There are two shorter (2.57 Å) and two longer (2.67 Å) Pd–As bond lengths. In the second Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Ce, one Pd, and four As atoms. The Pd–Pd bond length is 2.79 Å. There are a spread of Pd–As bond distances ranging from 2.50–2.60 Å. In the third Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Ce, five Pd, and four As atoms. There are two shorter (2.93 Å) and two longer (2.96 Å) Pd–Pd bond lengths. There are a spread of Pd–As bond distances ranging from 2.43–2.69 Å. In the fourth Pd site, Pd is bonded in a 12-coordinate geometry to three Ce, five Pd, and four As atoms. There are a spread of Pd–As bond distances ranging from 2.50–2.77 Å. In the fifth Pd site, Pd is bonded to four equivalent Ce, four equivalent Pd, and four As atoms to form distorted PdCe4As4Pd4 cuboctahedra that share edges with four equivalent CeAs6Pd6 cuboctahedra and faces with two equivalent PdCe4As4Pd4 cuboctahedra. There are two shorter (2.47 Å) and two longer (2.77 Å) Pd–As bond lengths. There are three inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to three Ce and six Pd atoms. In the second As site, As is bonded in a 9-coordinate geometry to two equivalent Ce and seven Pd atoms. In the third As site, As is bonded in a 9-coordinate geometry to four Ce and five Pd atoms.
DOI: 10.17188/1276553
title: Materials Data on TiGeTe6 by Materials Project

description: TiTe5GeTe crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two GeTe ribbons oriented in the (0, 1, 0) direction and two TiTe5 ribbons oriented in the (0, 1, 0) direction. In each GeTe ribbon, Ge4+ is bonded in a 3-coordinate geometry to three equivalent Te1- atoms. There are two shorter (2.76 Å) and one longer (2.77 Å) Ge–Te bond lengths. Te1- is bonded in a 3-coordinate geometry to three equivalent Ge4+ atoms. In each TiTe5 ribbon, there are two inequivalent Ti2+ sites. In the first Ti2+ site, Ti2+ is bonded to seven Te1- atoms to form distorted face-sharing TiTe7 pentagonal bipyramids. There are three shorter (2.84 Å) and four longer (2.90 Å) Ti–Te bond lengths. In the second Ti2+ site, Ti2+ is bonded to seven Te1- atoms to form distorted face-sharing TiTe7 pentagonal bipyramids. There are three shorter (2.84 Å) and four longer (2.90 Å) Ti–Te bond lengths. There are ten inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a distorted L-shaped geometry to two equivalent Ti2+ atoms. In the second Te1- site, Te1- is bonded in a 12-coordinate geometry to five Te1- atoms. There are a spread of Te–Te bond distances ranging from 2.94–3.64 Å. In the third Te1- site, Te1- is bonded in a distorted single-bond geometry to one Ti2+ and two equivalent Te1- atoms. Both Te–Te bond lengths are 2.94 Å. In the fourth Te1- site, Te1- is bonded in a distorted L-shaped geometry to two equivalent Ti2+ atoms. In the fifth Te1- site, Te1- is bonded in a distorted L-shaped geometry to two equivalent Ti2+ atoms. In the sixth Te1- site, Te1- is bonded in a distorted single-bond geometry to one Ti2+ and two equivalent Te1- atoms. In the seventh Te1- site, Te1- is bonded in a 12-coordinate geometry to five Te1- atoms. The Te–Te bond length is 3.15 Å. In the eighth Te1- site, Te1- is bonded in a distorted L-shaped geometry to two equivalent Ti2+ and one Te1- atom. In the ninth Te1- site, Te1- is bonded in a distorted L-shaped geometry to two equivalent Ti2+ and one Te1- atom. In the tenth Te1- site, Te1- is bonded in a distorted L-shaped geometry to two equivalent Ti2+ atoms.
DOI: 10.17188/1276554
title: Materials Data on Ba(InAu)2 by Materials Project

description: Ba(AuIn)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 1-coordinate geometry to seven Au and four In atoms. There are a spread of Ba–Au bond distances ranging from 3.32–3.67 Å. There are a spread of Ba–In bond distances ranging from 3.64–3.74 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Ba, two equivalent Au, and four In atoms. Both Au–Au bond lengths are 2.95 Å. There are a spread of Au–In bond distances ranging from 2.78–2.91 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to four equivalent Ba and five In atoms. There are a spread of Au–In bond distances ranging from 2.87–2.99 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 7-coordinate geometry to two equivalent Ba and five Au atoms. In the second In site, In is bonded to two equivalent Ba and four Au atoms to form a mixture of distorted edge and corner-sharing InBa2Au4 tetrahedra.
DOI: 10.17188/1276555
title: Materials Data on PbI2 by Materials Project

description: PbI2 is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of twelve PbI2 sheets oriented in the (0, 0, 1) direction. Pb2+ is bonded to six equivalent I1- atoms to form edge-sharing PbI6 octahedra. All Pb–I bond lengths are 3.28 Å. I1- is bonded in a 3-coordinate geometry to three equivalent Pb2+ atoms.
DOI: 10.17188/1276556
title: Materials Data on Sm(NiP)2 by Materials Project

description: SmNi2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm2+ is bonded in a distorted body-centered cubic geometry to eight equivalent P3- atoms. All Sm–P bond lengths are 3.02 Å. Ni2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. All Ni–P bond lengths are 2.29 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Sm2+, four equivalent Ni2+, and one P3- atom. The P–P bond length is 2.38 Å.
DOI: 10.17188/1276557
title: Materials Data on Cs4SiTe4 by Materials Project

description: Cs4SiTe4 crystallizes in the cubic P-43n space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to six Te2- atoms to form distorted CsTe6 octahedra that share corners with six CsTe6 octahedra, corners with three SiTe4 tetrahedra, edges with twelve CsTe6 octahedra, and a faceface with one SiTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–27°. There are a spread of Cs–Te bond distances ranging from 3.90–4.04 Å. In the second Cs1+ site, Cs1+ is bonded to six Te2- atoms to form distorted CsTe6 octahedra that share corners with six equivalent CsTe6 octahedra, corners with three equivalent SiTe4 tetrahedra, edges with twelve CsTe6 octahedra, and a faceface with one SiTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–25°. There are three shorter (3.96 Å) and three longer (4.03 Å) Cs–Te bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four equivalent Te2- atoms to form SiTe4 tetrahedra that share corners with twelve CsTe6 octahedra and faces with four equivalent CsTe6 octahedra. The corner-sharing octahedra tilt angles range from 44–50°. All Si–Te bond lengths are 2.56 Å. In the second Si4+ site, Si4+ is bonded to four equivalent Te2- atoms to form SiTe4 tetrahedra that share corners with twelve equivalent CsTe6 octahedra and faces with four equivalent CsTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Si–Te bond lengths are 2.55 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to six Cs1+ and one Si4+ atom. In the second Te2- site, Te2- is bonded in a 7-coordinate geometry to six Cs1+ and one Si4+ atom.
DOI: 10.17188/1276558
title: Materials Data on Yb(NiGe)2 by Materials Project

description: YbNi2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Ge atoms. All Yb–Ni bond lengths are 3.20 Å. All Yb–Ge bond lengths are 3.13 Å. Ni is bonded in a 4-coordinate geometry to four equivalent Yb and four equivalent Ge atoms. All Ni–Ge bond lengths are 2.35 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Yb, four equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.56 Å.
DOI: 10.17188/1276559
title: Materials Data on Tm3AlC by Materials Project

description: Tm3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Tm3Al framework. In the Tm3Al framework, Tm is bonded in a linear geometry to two equivalent Al atoms. Both Tm–Al bond lengths are 2.65 Å. Al is bonded to six equivalent Tm atoms to form corner-sharing AlTm6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1276560
title: Materials Data on Ce(PRu)2 by Materials Project

description: Ce(RuP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Ru and eight equivalent P atoms. All Ce–Ru bond lengths are 3.18 Å. All Ce–P bond lengths are 3.14 Å. Ru is bonded in a 12-coordinate geometry to four equivalent Ce and four equivalent P atoms. All Ru–P bond lengths are 2.37 Å. P is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Ru, and one P atom. The P–P bond length is 2.48 Å.
DOI: 10.17188/1276561
title: Materials Data on InSiTe3 by Materials Project

description: InSiTe3 crystallizes in the trigonal P3 space group. The structure is two-dimensional and consists of one InSiTe3 sheet oriented in the (0, 0, 1) direction. In2+ is bonded in a trigonal non-coplanar geometry to three equivalent Te2- atoms. All In–Te bond lengths are 2.97 Å. Si4+ is bonded in a trigonal planar geometry to three equivalent Te2- atoms. All Si–Te bond lengths are 2.45 Å. Te2- is bonded in a water-like geometry to one In2+ and one Si4+ atom.