cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1312597
title: Materials Data on Mg(AuF4)2 by Materials Project

description: Mg(AuF4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Mg–F bond distances ranging from 2.02–2.05 Å. Au3+ is bonded in a square co-planar geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.94–1.99 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one Au3+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one Au3+ atom. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to one Mg2+ and one Au3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Au3+ atom.
DOI: 10.17188/1312598
title: Materials Data on KIn(GeO3)2 by Materials Project

description: KIn(GeO3)2 is Esseneite structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.74–2.83 Å. In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six equivalent GeO4 tetrahedra and edges with two equivalent InO6 octahedra. There are a spread of In–O bond distances ranging from 2.15–2.26 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent InO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 36–61°. There are a spread of Ge–O bond distances ranging from 1.74–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one In3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one K1+, two equivalent In3+, and one Ge4+ atom.
DOI: 10.17188/1312599
title: Materials Data on FeSi by Materials Project

description: FeSi crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Fe is bonded in a 7-coordinate geometry to seven equivalent Si atoms. There are a spread of Fe–Si bond distances ranging from 2.28–2.50 Å. Si is bonded in a 7-coordinate geometry to seven equivalent Fe atoms.
DOI: 10.17188/1312600
title: Materials Data on Ca2Pt3O8 by Materials Project

description: Ca2Pt3O8 is beta indium sulfide-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.32 Å) and three longer (2.43 Å) Ca–O bond lengths. Pt4+ is bonded to six O2- atoms to form edge-sharing PtO6 octahedra. All Pt–O bond lengths are 2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and two equivalent Pt4+ atoms to form a mixture of distorted corner and edge-sharing OCa2Pt2 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pt4+ atoms.
DOI: 10.17188/1312601
title: Materials Data on Cs2Li14Tb3O14 by Materials Project

description: Cs2Li14Tb3O14 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.21–3.59 Å. There are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share a cornercorner with one TbO6 octahedra, corners with seven LiO4 tetrahedra, edges with two TbO6 octahedra, and edges with three LiO4 tetrahedra. The corner-sharing octahedral tilt angles are 66°. There are a spread of Li–O bond distances ranging from 1.98–2.18 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four TbO6 octahedra, corners with six LiO4 tetrahedra, and edges with five LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–40°. There is two shorter (1.98 Å) and two longer (2.00 Å) Li–O bond length. In the third Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with three TbO6 octahedra, corners with five LiO4 tetrahedra, an edgeedge with one TbO6 octahedra, and edges with three LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 5–42°. There are a spread of Li–O bond distances ranging from 1.93–2.13 Å. There are two inequivalent Tb4+ sites. In the first Tb4+ site, Tb4+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with eight LiO4 tetrahedra, edges with two equivalent TbO6 octahedra, and edges with eight equivalent LiO4 tetrahedra. There are two shorter (2.23 Å) and four longer (2.30 Å) Tb–O bond lengths. In the second Tb4+ site, Tb4+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with ten LiO4 tetrahedra, an edgeedge with one TbO6 octahedra, and edges with six LiO4 tetrahedra. There are a spread of Tb–O bond distances ranging from 2.26–2.36 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Cs1+, three Li1+, and two Tb4+ atoms to form distorted OCs2Li3Tb2 square pyramids that share a cornercorner with one OCs2Li3Tb2 square pyramid, edges with two equivalent OLi6Tb hexagonal pyramids, edges with three equivalent OCs2Li3Tb2 square pyramids, and a faceface with one OCs2Li3Tb2 square pyramid. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Cs1+, four Li1+, and one Tb4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Cs1+, four Li1+, and one Tb4+ atom. In the fourth O2- site, O2- is bonded to six Li1+ and one Tb4+ atom to form distorted OLi6Tb hexagonal pyramids that share a cornercorner with one OLi6Tb hexagonal pyramid, an edgeedge with one OLi6Tb hexagonal pyramid, and edges with four equivalent OCs2Li3Tb2 square pyramids.
DOI: 10.17188/1312602
title: Materials Data on K2MnS2 by Materials Project

description: K2MnS2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five equivalent S2- atoms. There are a spread of K–S bond distances ranging from 3.20–3.36 Å. Mn2+ is bonded to four equivalent S2- atoms to form edge-sharing MnS4 tetrahedra. All Mn–S bond lengths are 2.44 Å. S2- is bonded in a 7-coordinate geometry to five equivalent K1+ and two equivalent Mn2+ atoms.
DOI: 10.17188/1312603
title: Materials Data on Rb2MnS2 by Materials Project

description: Rb2MnS2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Rb1+ is bonded in a 5-coordinate geometry to six equivalent S2- atoms. There are a spread of Rb–S bond distances ranging from 3.38–3.79 Å. Mn2+ is bonded to four equivalent S2- atoms to form edge-sharing MnS4 tetrahedra. All Mn–S bond lengths are 2.45 Å. S2- is bonded in a 2-coordinate geometry to six equivalent Rb1+ and two equivalent Mn2+ atoms.
DOI: 10.17188/1312604
title: Materials Data on K2MnSe2 by Materials Project

description: K2MnSe2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are a spread of K–Se bond distances ranging from 3.34–3.82 Å. Mn2+ is bonded to four equivalent Se2- atoms to form edge-sharing MnSe4 tetrahedra. All Mn–Se bond lengths are 2.57 Å. Se2- is bonded in a 8-coordinate geometry to six equivalent K1+ and two equivalent Mn2+ atoms.
DOI: 10.17188/1312605
title: Materials Data on Rb2MnSe2 by Materials Project

description: Rb2MnSe2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.52–3.87 Å. Mn2+ is bonded to four equivalent Se2- atoms to form edge-sharing MnSe4 tetrahedra. All Mn–Se bond lengths are 2.58 Å. Se2- is bonded in a 2-coordinate geometry to six equivalent Rb1+ and two equivalent Mn2+ atoms.
DOI: 10.17188/1312606
title: Materials Data on K2MnTe2 by Materials Project

description: K2MnTe2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent Te2- atoms. There are a spread of K–Te bond distances ranging from 3.58–3.93 Å. Mn2+ is bonded to four equivalent Te2- atoms to form edge-sharing MnTe4 tetrahedra. All Mn–Te bond lengths are 2.76 Å. Te2- is bonded in a 8-coordinate geometry to six equivalent K1+ and two equivalent Mn2+ atoms.
DOI: 10.17188/1312608
title: Materials Data on BaSn by Materials Project

description: BaSn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 7-coordinate geometry to seven equivalent Sn atoms. There are a spread of Ba–Sn bond distances ranging from 3.67–3.78 Å. Sn is bonded in a 9-coordinate geometry to seven equivalent Ba and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.01 Å.
DOI: 10.17188/1312609
title: Materials Data on Rb2MnTe2 by Materials Project

description: Rb2MnTe2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.75–4.01 Å. Mn2+ is bonded to four equivalent Te2- atoms to form edge-sharing MnTe4 tetrahedra. All Mn–Te bond lengths are 2.77 Å. Te2- is bonded in a 8-coordinate geometry to six equivalent Rb1+ and two equivalent Mn2+ atoms.
DOI: 10.17188/1312610
title: Materials Data on AsF5 by Materials Project

description: AsF5 crystallizes in the hexagonal P6_3/mmc space group. The structure is zero-dimensional and consists of two AsF5 clusters. As5+ is bonded in a trigonal bipyramidal geometry to five F1- atoms. There is three shorter (1.72 Å) and two longer (1.75 Å) As–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.
DOI: 10.17188/1312611
title: Materials Data on K2TeO3 by Materials Project

description: K2TeO3 is Krennerite-derived structured and crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six equivalent O2- atoms to form face-sharing KO6 octahedra. All K–O bond lengths are 2.89 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.78 Å) and three longer (3.09 Å) K–O bond lengths. In the third K1+ site, K1+ is bonded to six equivalent O2- atoms to form face-sharing KO6 octahedra. All K–O bond lengths are 2.76 Å. Te4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Te–O bond lengths are 1.89 Å. O2- is bonded in a 5-coordinate geometry to four K1+ and one Te4+ atom.
DOI: 10.17188/1312614
title: Materials Data on HfSnS3 by Materials Project

description: SnHfS3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two SnHfS3 ribbons oriented in the (1, 0, 0) direction. Hf4+ is bonded to six S2- atoms to form edge-sharing HfS6 octahedra. There are a spread of Hf–S bond distances ranging from 2.53–2.58 Å. Sn2+ is bonded in a 3-coordinate geometry to three S2- atoms. There are two shorter (2.62 Å) and one longer (2.72 Å) Sn–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Hf4+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Hf4+ and one Sn2+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to one Hf4+ and two equivalent Sn2+ atoms.
DOI: 10.17188/1312616
title: Materials Data on Ba4PtO6 by Materials Project

description: Ba4PtO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.65 Å. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.76–2.92 Å. Pt4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Pt–O bond lengths are 2.12 Å. O2- is bonded to five Ba2+ and one Pt4+ atom to form a mixture of distorted edge, corner, and face-sharing OBa5Pt octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1312617
title: Materials Data on VPd3 by Materials Project

description: Pd3V is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. V is bonded to twelve Pd atoms to form VPd12 cuboctahedra that share corners with four equivalent VPd12 cuboctahedra, corners with eight equivalent PdV4Pd8 cuboctahedra, edges with eight equivalent VPd12 cuboctahedra, edges with sixteen equivalent PdV4Pd8 cuboctahedra, faces with four equivalent VPd12 cuboctahedra, and faces with fourteen PdV4Pd8 cuboctahedra. There are four shorter (2.74 Å) and eight longer (2.76 Å) V–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent V and eight Pd atoms to form distorted PdV4Pd8 cuboctahedra that share corners with twelve equivalent PdV4Pd8 cuboctahedra, edges with eight equivalent VPd12 cuboctahedra, edges with sixteen PdV4Pd8 cuboctahedra, faces with four equivalent VPd12 cuboctahedra, and faces with fourteen PdV4Pd8 cuboctahedra. There are four shorter (2.74 Å) and four longer (2.76 Å) Pd–Pd bond lengths. In the second Pd site, Pd is bonded to four equivalent V and eight equivalent Pd atoms to form distorted PdV4Pd8 cuboctahedra that share corners with four equivalent PdV4Pd8 cuboctahedra, corners with eight equivalent VPd12 cuboctahedra, edges with twenty-four PdV4Pd8 cuboctahedra, faces with six equivalent VPd12 cuboctahedra, and faces with twelve PdV4Pd8 cuboctahedra.
DOI: 10.17188/1312620
title: Materials Data on Ta2Se by Materials Project

description: Ta2Se crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of two Ta2Se sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 4-coordinate geometry to four equivalent Se atoms. All Ta–Se bond lengths are 2.70 Å. In the second Ta site, Ta is bonded in a distorted single-bond geometry to one Se atom. The Ta–Se bond length is 2.85 Å. Se is bonded in a 5-coordinate geometry to five Ta atoms.
DOI: 10.17188/1312623
title: Materials Data on Sr(Mo3S4)2 by Materials Project

description: Sr(Mo3S4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 2.88–3.21 Å. There are three inequivalent Mo+2.33+ sites. In the first Mo+2.33+ site, Mo+2.33+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.38–2.62 Å. In the second Mo+2.33+ site, Mo+2.33+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.44–2.64 Å. In the third Mo+2.33+ site, Mo+2.33+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.39–2.62 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one Sr2+ and four Mo+2.33+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Sr2+ and four Mo+2.33+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to one Sr2+ and three Mo+2.33+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to one Sr2+ and four Mo+2.33+ atoms.
DOI: 10.17188/1312625
title: Materials Data on DyCoSi2 by Materials Project

description: DyCoSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 4-coordinate geometry to four equivalent Co and ten Si atoms. All Dy–Co bond lengths are 3.07 Å. There are a spread of Dy–Si bond distances ranging from 3.02–3.15 Å. Co is bonded in a 9-coordinate geometry to four equivalent Dy and five Si atoms. There are a spread of Co–Si bond distances ranging from 2.22–2.31 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 12-coordinate geometry to four equivalent Dy and four equivalent Co atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Dy, one Co, and two equivalent Si atoms. Both Si–Si bond lengths are 2.42 Å.
DOI: 10.17188/1312684
title: Materials Data on HoCoSi2 by Materials Project

description: HoCoSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 4-coordinate geometry to four equivalent Co and ten Si atoms. All Ho–Co bond lengths are 3.05 Å. There are a spread of Ho–Si bond distances ranging from 3.01–3.15 Å. Co is bonded in a 9-coordinate geometry to four equivalent Ho and five Si atoms. There are a spread of Co–Si bond distances ranging from 2.22–2.31 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 12-coordinate geometry to four equivalent Ho and four equivalent Co atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ho, one Co, and two equivalent Si atoms. Both Si–Si bond lengths are 2.42 Å.
DOI: 10.17188/1312685
title: Materials Data on AlOs by Materials Project

description: OsAl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Os is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Os–Al bond lengths are 2.61 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Os atoms.
DOI: 10.17188/1312686
title: Materials Data on RbLiS by Materials Project

description: RbLiS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Rb1+ is bonded in a 5-coordinate geometry to five equivalent S2- atoms. There are four shorter (3.36 Å) and one longer (3.60 Å) Rb–S bond lengths. Li1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. All Li–S bond lengths are 2.56 Å. S2- is bonded in a 9-coordinate geometry to five equivalent Rb1+ and four equivalent Li1+ atoms.
DOI: 10.17188/1312687
title: Materials Data on Na4CdP2 by Materials Project

description: Na4CdP2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing NaP4 tetrahedra. There are one shorter (2.92 Å) and three longer (3.03 Å) Na–P bond lengths. In the second Na1+ site, Na1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Na–P bond lengths are 2.95 Å. Cd2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Cd–P bond lengths are 2.42 Å. P3- is bonded in a body-centered cubic geometry to seven Na1+ and one Cd2+ atom.
DOI: 10.17188/1312688
title: Materials Data on K4HgP2 by Materials Project

description: K4HgP2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing KP4 tetrahedra. There are one shorter (3.25 Å) and three longer (3.45 Å) K–P bond lengths. In the second K1+ site, K1+ is bonded in a trigonal non-coplanar geometry to three equivalent P3- atoms. All K–P bond lengths are 3.40 Å. Hg2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Hg–P bond lengths are 2.42 Å. P3- is bonded in a body-centered cubic geometry to seven K1+ and one Hg2+ atom.
DOI: 10.17188/1312689
title: Materials Data on NaLiTe by Materials Project

description: NaLiTe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded to five equivalent Te2- atoms to form distorted NaTe5 trigonal bipyramids that share corners with eight equivalent LiTe4 tetrahedra, corners with eight equivalent NaTe5 trigonal bipyramids, edges with six equivalent LiTe4 tetrahedra, and edges with six equivalent NaTe5 trigonal bipyramids. There are a spread of Na–Te bond distances ranging from 3.17–3.31 Å. Li1+ is bonded to four equivalent Te2- atoms to form LiTe4 tetrahedra that share corners with eight equivalent LiTe4 tetrahedra, corners with eight equivalent NaTe5 trigonal bipyramids, edges with two equivalent LiTe4 tetrahedra, and edges with six equivalent NaTe5 trigonal bipyramids. There are a spread of Li–Te bond distances ranging from 2.82–2.87 Å. Te2- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Li1+ atoms.
DOI: 10.17188/1312690
title: Materials Data on KNaTe by Materials Project

description: KNaTe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded to five equivalent Te2- atoms to form distorted KTe5 trigonal bipyramids that share corners with eight equivalent NaTe4 tetrahedra, corners with eight equivalent KTe5 trigonal bipyramids, edges with six equivalent NaTe4 tetrahedra, and edges with six equivalent KTe5 trigonal bipyramids. There are a spread of K–Te bond distances ranging from 3.56–3.70 Å. Na1+ is bonded to four equivalent Te2- atoms to form NaTe4 tetrahedra that share corners with eight equivalent NaTe4 tetrahedra, corners with eight equivalent KTe5 trigonal bipyramids, edges with two equivalent NaTe4 tetrahedra, and edges with six equivalent KTe5 trigonal bipyramids. There are a spread of Na–Te bond distances ranging from 3.16–3.21 Å. Te2- is bonded in a 9-coordinate geometry to five equivalent K1+ and four equivalent Na1+ atoms.
DOI: 10.17188/1312691
title: Materials Data on KLiSe by Materials Project

description: KLiSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five equivalent Se2- atoms. There are four shorter (3.38 Å) and one longer (3.44 Å) K–Se bond lengths. Li1+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing LiSe4 tetrahedra. All Li–Se bond lengths are 2.67 Å. Se2- is bonded in a 9-coordinate geometry to five equivalent K1+ and four equivalent Li1+ atoms.
DOI: 10.17188/1312692
title: Materials Data on SmRhC2 by Materials Project

description: SmRhC2 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 (2.77 Å) and four longer (2.84 Å) Sm–C bond lengths. Rh3+ is bonded in a 4-coordinate geometry to four equivalent C3- atoms. There are two shorter (2.10 Å) and two longer (2.16 Å) Rh–C bond lengths. C3- is bonded in a 7-coordinate geometry to four equivalent Sm3+, two equivalent Rh3+, and one C3- atom. The C–C bond length is 1.35 Å.