cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1317464
title: Materials Data on Ti2AlZn by Materials Project

description: Ti2ZnAl is Tungsten-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to four equivalent Ti, six equivalent Zn, and four equivalent Al atoms. All Ti–Ti bond lengths are 2.78 Å. All Ti–Zn bond lengths are 3.21 Å. All Ti–Al bond lengths are 2.78 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to four equivalent Ti, four equivalent Zn, and six equivalent Al atoms. All Ti–Zn bond lengths are 2.78 Å. All Ti–Al bond lengths are 3.21 Å. Zn is bonded in a distorted body-centered cubic geometry to ten Ti and four equivalent Al atoms. All Zn–Al bond lengths are 2.78 Å. Al is bonded in a distorted body-centered cubic geometry to ten Ti and four equivalent Zn atoms.
DOI: 10.17188/1317465
title: Materials Data on Ti2InNi by Materials Project

description: Ti2NiIn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Ti, six equivalent Ni, and four equivalent In atoms. All Ti–Ti bond lengths are 2.77 Å. All Ti–Ni bond lengths are 3.20 Å. All Ti–In bond lengths are 2.77 Å. In the second Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Ti and four equivalent Ni atoms. All Ti–Ni bond lengths are 2.77 Å. Ni is bonded in a distorted body-centered cubic geometry to ten Ti and four equivalent In atoms. All Ni–In bond lengths are 2.77 Å. In is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Ni atoms.
DOI: 10.17188/1317466
title: Materials Data on Ti2AlCu by Materials Project

description: Ti2CuAl crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to four equivalent Ti, six equivalent Cu, and four equivalent Al atoms. All Ti–Ti bond lengths are 2.73 Å. All Ti–Cu bond lengths are 3.15 Å. All Ti–Al bond lengths are 2.73 Å. In the second Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Ti and four equivalent Cu atoms. All Ti–Cu bond lengths are 2.73 Å. Cu is bonded in a distorted body-centered cubic geometry to ten Ti and four equivalent Al atoms. All Cu–Al bond lengths are 2.73 Å. Al is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Cu atoms.
DOI: 10.17188/1317467
title: Materials Data on Ti2MnSn by Materials Project

description: Ti2MnSn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to four equivalent Ti and four equivalent Sn atoms to form distorted edge-sharing TiTi4Sn4 tetrahedra. All Ti–Ti bond lengths are 2.77 Å. All Ti–Sn bond lengths are 2.77 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to four equivalent Ti, four equivalent Mn, and six equivalent Sn atoms. All Ti–Mn bond lengths are 2.77 Å. All Ti–Sn bond lengths are 3.20 Å. Mn is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Sn atoms. All Mn–Sn bond lengths are 2.77 Å. Sn is bonded in a distorted body-centered cubic geometry to ten Ti and four equivalent Mn atoms.
DOI: 10.17188/1317468
title: Materials Data on TcN by Materials Project

description: TcN crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Tc3+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Tc–N bond lengths are 2.05 Å. N3- is bonded in a 4-coordinate geometry to four equivalent Tc3+ atoms.
DOI: 10.17188/1317469
title: Materials Data on ThCoC2 by Materials Project

description: ThCoC2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight equivalent C3- atoms. All Th–C bond lengths are 2.75 Å. Co2+ is bonded in a 4-coordinate geometry to four equivalent C3- atoms. There is two shorter (1.97 Å) and two longer (1.98 Å) Co–C bond length. C3- is bonded in a 7-coordinate geometry to four equivalent Th4+, two equivalent Co2+, and one C3- atom. The C–C bond length is 1.41 Å.
DOI: 10.17188/1317470
title: Materials Data on Ti2AlCr by Materials Project

description: Ti2CrAl is Tungsten-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to four equivalent Ti, six equivalent Cr, and four equivalent Al atoms. All Ti–Ti bond lengths are 2.73 Å. All Ti–Cr bond lengths are 3.15 Å. All Ti–Al bond lengths are 2.73 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to four equivalent Ti, four equivalent Cr, and six equivalent Al atoms. All Ti–Cr bond lengths are 2.73 Å. All Ti–Al bond lengths are 3.15 Å. Cr is bonded in a distorted body-centered cubic geometry to ten Ti and four equivalent Al atoms. All Cr–Al bond lengths are 2.73 Å. Al is bonded in a distorted body-centered cubic geometry to ten Ti and four equivalent Cr atoms.
DOI: 10.17188/1317471
title: Materials Data on TcN by Materials Project

description: TcN is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc3+ is bonded to six equivalent N3- atoms to form a mixture of corner, edge, and face-sharing TcN6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Tc–N bond lengths are 2.17 Å. N3- is bonded to six equivalent Tc3+ atoms to form a mixture of distorted corner and edge-sharing NTc6 pentagonal pyramids.
DOI: 10.17188/1317472
title: Materials Data on TcB by Materials Project

description: TcB is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc3- is bonded to six equivalent B3+ atoms to form a mixture of distorted edge and corner-sharing TcB6 pentagonal pyramids. All Tc–B bond lengths are 2.20 Å. B3+ is bonded to six equivalent Tc3- atoms to form a mixture of edge, face, and corner-sharing BTc6 octahedra. The corner-sharing octahedral tilt angles are 46°.
DOI: 10.17188/1317473
title: Materials Data on TbTlS2 by Materials Project

description: TbTlS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tb3+ is bonded to six equivalent S2- atoms to form TbS6 octahedra that share corners with six equivalent TlS6 octahedra, edges with six equivalent TbS6 octahedra, and edges with six equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Tb–S bond lengths are 2.78 Å. Tl1+ is bonded to six equivalent S2- atoms to form distorted TlS6 octahedra that share corners with six equivalent TbS6 octahedra, edges with six equivalent TbS6 octahedra, and edges with six equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Tl–S bond lengths are 3.26 Å. S2- is bonded to three equivalent Tb3+ and three equivalent Tl1+ atoms to form a mixture of distorted edge and corner-sharing STb3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317474
title: Materials Data on TcB by Materials Project

description: TcB is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc3- is bonded to six equivalent B3+ atoms to form a mixture of distorted edge, face, and corner-sharing TcB6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Tc–B bond lengths are 2.23 Å. B3+ is bonded to six equivalent Tc3- atoms to form a mixture of distorted edge and corner-sharing BTc6 pentagonal pyramids.
DOI: 10.17188/1317475
title: Materials Data on TbTlTe2 by Materials Project

description: TbTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tb3+ is bonded to six equivalent Te2- atoms to form TbTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent TbTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Tb–Te bond lengths are 3.12 Å. Tl1+ is bonded to six equivalent Te2- atoms to form TlTe6 octahedra that share corners with six equivalent TbTe6 octahedra, edges with six equivalent TbTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Tl–Te bond lengths are 3.49 Å. Te2- is bonded to three equivalent Tb3+ and three equivalent Tl1+ atoms to form a mixture of corner and edge-sharing TeTb3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317476
title: Materials Data on TbFeC2 by Materials Project

description: TbFeC2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight equivalent C3- atoms. There are four shorter (2.63 Å) and four longer (2.71 Å) Tb–C bond lengths. Fe3+ is bonded in a 4-coordinate geometry to four equivalent C3- atoms. There is two shorter (1.92 Å) and two longer (1.99 Å) Fe–C bond length. C3- is bonded in a 7-coordinate geometry to four equivalent Tb3+, two equivalent Fe3+, and one C3- atom. The C–C bond length is 1.41 Å.
DOI: 10.17188/1317477
title: Materials Data on TbH3 by Materials Project

description: TbH3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb3+ is bonded in a distorted body-centered cubic geometry to fourteen H1- atoms. There are eight shorter (2.25 Å) and six longer (2.60 Å) Tb–H bond lengths. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to six equivalent Tb3+ atoms to form HTb6 octahedra that share corners with six equivalent HTb6 octahedra, corners with twenty-four equivalent HTb4 tetrahedra, edges with twelve equivalent HTb6 octahedra, and faces with eight equivalent HTb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. In the second H1- site, H1- is bonded to four equivalent Tb3+ atoms to form HTb4 tetrahedra that share corners with twelve equivalent HTb6 octahedra, corners with sixteen equivalent HTb4 tetrahedra, edges with six equivalent HTb4 tetrahedra, and faces with four equivalent HTb6 octahedra. The corner-sharing octahedral tilt angles are 55°.
DOI: 10.17188/1317478
title: Materials Data on TbPd by Materials Project

description: TbPd is alpha-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 7-coordinate geometry to seven equivalent Pd atoms. There are a spread of Tb–Pd bond distances ranging from 2.94–3.02 Å. Pd is bonded in a 7-coordinate geometry to seven equivalent Tb atoms.
DOI: 10.17188/1317479
title: Materials Data on TbNaS2 by Materials Project

description: NaTbS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent S2- atoms to form NaS6 octahedra that share corners with six equivalent TbS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent TbS6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Na–S bond lengths are 2.94 Å. Tb3+ is bonded to six equivalent S2- atoms to form TbS6 octahedra that share corners with six equivalent NaS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent TbS6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Tb–S bond lengths are 2.77 Å. S2- is bonded to three equivalent Na1+ and three equivalent Tb3+ atoms to form a mixture of edge and corner-sharing SNa3Tb3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317480
title: Materials Data on TbNaSe2 by Materials Project

description: NaTbSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form NaSe6 octahedra that share corners with six equivalent TbSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent TbSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Na–Se bond lengths are 3.06 Å. Tb3+ is bonded to six equivalent Se2- atoms to form TbSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent TbSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Tb–Se bond lengths are 2.89 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Tb3+ atoms to form a mixture of edge and corner-sharing SeNa3Tb3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317481
title: Materials Data on KTbS2 by Materials Project

description: KTbS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent S2- atoms to form distorted KS6 octahedra that share corners with six equivalent TbS6 octahedra, edges with six equivalent KS6 octahedra, and edges with six equivalent TbS6 octahedra. The corner-sharing octahedral tilt angles are 11°. All K–S bond lengths are 3.22 Å. Tb3+ is bonded to six equivalent S2- atoms to form TbS6 octahedra that share corners with six equivalent KS6 octahedra, edges with six equivalent KS6 octahedra, and edges with six equivalent TbS6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Tb–S bond lengths are 2.78 Å. S2- is bonded to three equivalent K1+ and three equivalent Tb3+ atoms to form a mixture of edge and corner-sharing SK3Tb3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317482
title: Materials Data on TbNi by Materials Project

description: TbNi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 7-coordinate geometry to seven equivalent Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.85–2.95 Å. Ni is bonded in a 9-coordinate geometry to seven equivalent Tb and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.60 Å.
DOI: 10.17188/1317483
title: Materials Data on SmTlTe2 by Materials Project

description: SmTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm3+ is bonded to six equivalent Te2- atoms to form SmTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent SmTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Sm–Te bond lengths are 3.16 Å. Tl1+ is bonded to six equivalent Te2- atoms to form TlTe6 octahedra that share corners with six equivalent SmTe6 octahedra, edges with six equivalent SmTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Tl–Te bond lengths are 3.50 Å. Te2- is bonded to three equivalent Sm3+ and three equivalent Tl1+ atoms to form a mixture of edge and corner-sharing TeSm3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317484
title: Materials Data on TaPd by Materials Project

description: PdTa is gamma CuTi structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ta is bonded in a 10-coordinate geometry to six equivalent Pd atoms. There are a spread of Ta–Pd bond distances ranging from 2.72–3.11 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Ta and four equivalent Pd atoms. All Pd–Pd bond lengths are 2.84 Å.
DOI: 10.17188/1317485
title: Materials Data on TaCuN2 by Materials Project

description: CuTaN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent N3- atoms to form TaN6 octahedra that share corners with six equivalent CuN6 octahedra, edges with six equivalent TaN6 octahedra, and edges with six equivalent CuN6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Ta–N bond lengths are 2.12 Å. Cu1+ is bonded to six equivalent N3- atoms to form CuN6 octahedra that share corners with six equivalent TaN6 octahedra, edges with six equivalent TaN6 octahedra, and edges with six equivalent CuN6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Cu–N bond lengths are 2.32 Å. N3- is bonded to three equivalent Ta5+ and three equivalent Cu1+ atoms to form a mixture of edge and corner-sharing NTa3Cu3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317486
title: Materials Data on TaInSe2 by Materials Project

description: TaInSe2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ta3+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing TaSe6 pentagonal pyramids. All Ta–Se bond lengths are 2.61 Å. In1+ is bonded in a linear geometry to two equivalent Se2- atoms. Both In–Se bond lengths are 3.06 Å. Se2- is bonded in a 4-coordinate geometry to three equivalent Ta3+ and one In1+ atom.
DOI: 10.17188/1317487
title: Materials Data on SmTlSe2 by Materials Project

description: TlSmSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm3+ is bonded to six equivalent Se2- atoms to form SmSe6 octahedra that share corners with six equivalent TlSe6 octahedra, edges with six equivalent SmSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Sm–Se bond lengths are 2.96 Å. Tl1+ is bonded to six equivalent Se2- atoms to form TlSe6 octahedra that share corners with six equivalent SmSe6 octahedra, edges with six equivalent SmSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–Se bond lengths are 3.35 Å. Se2- is bonded to three equivalent Sm3+ and three equivalent Tl1+ atoms to form a mixture of edge and corner-sharing SeSm3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317488
title: Materials Data on SmTlS2 by Materials Project

description: SmTlS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm3+ is bonded to six equivalent S2- atoms to form SmS6 octahedra that share corners with six equivalent TlS6 octahedra, edges with six equivalent SmS6 octahedra, and edges with six equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Sm–S bond lengths are 2.83 Å. Tl1+ is bonded to six equivalent S2- atoms to form distorted TlS6 octahedra that share corners with six equivalent SmS6 octahedra, edges with six equivalent SmS6 octahedra, and edges with six equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Tl–S bond lengths are 3.28 Å. S2- is bonded to three equivalent Sm3+ and three equivalent Tl1+ atoms to form a mixture of distorted edge and corner-sharing SSm3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317489
title: Materials Data on TaHgS2 by Materials Project

description: HgTaS2 is H-Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three hydrargyrum molecules and three TaS2 sheets oriented in the (0, 0, 1) direction. In each TaS2 sheet, Ta3+ is bonded to six equivalent S2- atoms to form edge-sharing TaS6 octahedra. All Ta–S bond lengths are 2.48 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Ta3+ atoms.
DOI: 10.17188/1317490
title: Materials Data on TbAu by Materials Project

description: AuTb is alpha-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 7-coordinate geometry to seven equivalent Au atoms. There are a spread of Tb–Au bond distances ranging from 3.02–3.14 Å. Au is bonded in a 7-coordinate geometry to seven equivalent Tb atoms.
DOI: 10.17188/1317491
title: Materials Data on SnO by Materials Project

description: SnO is Tetraauricupride structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one SnO sheet oriented in the (0, 0, 1) direction. Sn2+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Sn–O bond lengths are 2.32 Å. O2- is bonded in a rectangular see-saw-like geometry to four equivalent Sn2+ atoms.
DOI: 10.17188/1317492
title: Materials Data on SrPd by Materials Project

description: SrPd crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded in a 7-coordinate geometry to seven equivalent Pd atoms. There are a spread of Sr–Pd bond distances ranging from 3.21–3.30 Å. Pd is bonded in a 9-coordinate geometry to seven equivalent Sr and two equivalent Pd atoms. Both Pd–Pd bond lengths are 2.81 Å.
DOI: 10.17188/1317493
title: Materials Data on SmNiC2 by Materials Project

description: SmNiC2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight equivalent C+2.50- atoms. There are four shorter (2.71 Å) and four longer (2.73 Å) Sm–C bond lengths. Ni2+ is bonded in a 4-coordinate geometry to four equivalent C+2.50- atoms. There is two shorter (1.95 Å) and two longer (2.01 Å) Ni–C bond length. C+2.50- is bonded in a 7-coordinate geometry to four equivalent Sm3+, two equivalent Ni2+, and one C+2.50- atom. The C–C bond length is 1.37 Å.
DOI: 10.17188/1317494
title: Materials Data on SmNi by Materials Project

description: SmNi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 7-coordinate geometry to seven equivalent Ni atoms. There are a spread of Sm–Ni bond distances ranging from 2.90–3.01 Å. Ni is bonded in a 9-coordinate geometry to seven equivalent Sm and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.63 Å.
DOI: 10.17188/1317495
title: Materials Data on SmGa by Materials Project

description: GaSm crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 7-coordinate geometry to seven equivalent Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.13–3.25 Å. Ga is bonded in a 9-coordinate geometry to seven equivalent Sm and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.63 Å.
DOI: 10.17188/1317496
title: Materials Data on SmFeC2 by Materials Project

description: SmFeC2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight equivalent C3- atoms. There are four shorter (2.68 Å) and four longer (2.77 Å) Sm–C bond lengths. Fe3+ is bonded in a 4-coordinate geometry to four equivalent C3- atoms. There is two shorter (1.93 Å) and two longer (2.00 Å) Fe–C bond length. C3- is bonded in a 7-coordinate geometry to four equivalent Sm3+, two equivalent Fe3+, and one C3- atom. The C–C bond length is 1.40 Å.
DOI: 10.17188/1317497
title: Materials Data on SiHgP2 by Materials Project

description: HgSiP2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four mercury molecules and one SiP2 framework. In the SiP2 framework, Si4- is bonded in a body-centered cubic geometry to eight equivalent P1+ atoms. All Si–P bond lengths are 2.85 Å. P1+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing PSi4 tetrahedra.