cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1275167
title: Materials Data on La4MgCo by Materials Project

description: MgLa4Co crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine La atoms to form a mixture of corner and face-sharing MgLa9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.14 Å. There are a spread of Mg–La bond distances ranging from 3.46–3.68 Å. There are three inequivalent La sites. In the first La site, La is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent Co atoms. Both La–Co bond lengths are 3.60 Å. In the second La site, La is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Co atoms. Both La–Co bond lengths are 2.90 Å. In the third La site, La is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Co atoms. All La–Co bond lengths are 2.91 Å. Co is bonded in a 6-coordinate geometry to nine La atoms.
DOI: 10.17188/1275168
title: Materials Data on Yb4Sb6Rh7 by Materials Project

description: Yb4Rh7Sb6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Yb is bonded to six equivalent Rh and six equivalent Sb atoms to form YbSb6Rh6 cuboctahedra that share corners with twelve equivalent YbSb6Rh6 cuboctahedra, faces with six equivalent YbSb6Rh6 cuboctahedra, and faces with two equivalent RhSb6 octahedra. All Yb–Rh bond lengths are 3.10 Å. All Yb–Sb bond lengths are 3.15 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Yb and four equivalent Sb atoms. All Rh–Sb bond lengths are 2.71 Å. In the second Rh site, Rh is bonded to six equivalent Sb atoms to form RhSb6 octahedra that share faces with eight equivalent YbSb6Rh6 cuboctahedra. All Rh–Sb bond lengths are 2.78 Å. Sb is bonded in a 9-coordinate geometry to four equivalent Yb and five Rh atoms.
DOI: 10.17188/1275169
title: Materials Data on Fe7Mo6 by Materials Project

description: Fe7Mo6 is Frank-Kasper $\mu$ Phase structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to four Mo and twelve Fe atoms. There are one shorter (2.66 Å) and three longer (2.83 Å) Mo–Mo bond lengths. There are a spread of Mo–Fe bond distances ranging from 2.66–2.87 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to nine Mo and six equivalent Fe atoms. There are a spread of Mo–Mo bond distances ranging from 2.75–3.03 Å. There are three shorter (2.68 Å) and three longer (2.71 Å) Mo–Fe bond lengths. In the third Mo site, Mo is bonded in a 8-coordinate geometry to eight Mo and six equivalent Fe atoms. The Mo–Mo bond length is 2.52 Å. All Mo–Fe bond lengths are 2.60 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to seven Mo and five Fe atoms to form a mixture of edge, face, and corner-sharing FeFe5Mo7 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.37–2.39 Å. In the second Fe site, Fe is bonded to six equivalent Mo and six equivalent Fe atoms to form FeFe6Mo6 cuboctahedra that share corners with twelve equivalent FeFe5Mo7 cuboctahedra, edges with six equivalent FeFe6Mo6 cuboctahedra, and faces with eighteen equivalent FeFe5Mo7 cuboctahedra.
DOI: 10.17188/1275170
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 six PbI2 sheets oriented in the (0, 0, 1) direction. Pb2+ is bonded to six I1- atoms to form edge-sharing PbI6 octahedra. All Pb–I bond lengths are 3.28 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent Pb2+ atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three equivalent Pb2+ atoms.
DOI: 10.17188/1275171
title: Materials Data on Np(FeSi)2 by Materials Project

description: Np(FeSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Np3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Np–Si bond lengths are 3.05 Å. Fe+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing FeSi4 tetrahedra. All Fe–Si bond lengths are 2.28 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Np3+, four equivalent Fe+2.50+, and one Si4- atom. The Si–Si bond length is 2.47 Å.
DOI: 10.6084/m9.figshare.13667495.v1
title: Propiroseiopsis mexicanus-Male Developmental time

description: Data collected on the developmental time performance of <i>Proprioseiopsis mexicanus</i> male mites (Acari: Phytoseiidae) on different food resources (pollen and <i>Tetranychus urticae</i>). Please see "READ ME" PDF for metadata details.
DOI: 10.17188/1275172
title: Materials Data on La2Cu2O5 by Materials Project

description: La2Cu2O5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. La3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.96 Å. Cu2+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.92–2.28 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent La3+ and two equivalent Cu2+ atoms to form distorted edge-sharing OLa4Cu2 octahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent La3+ and two equivalent Cu2+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent Cu2+ atoms.
DOI: 10.17188/1275173
title: Materials Data on Ge3As4 by Materials Project

description: Ge3As4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ge4+ is bonded to four equivalent As3- atoms to form corner-sharing GeAs4 tetrahedra. All Ge–As bond lengths are 2.51 Å. As3- is bonded in a trigonal non-coplanar geometry to three equivalent Ge4+ atoms.
DOI: 10.17188/1275174
title: Materials Data on ErSi2Rh3 by Materials Project

description: ErRh3Si2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to twelve equivalent Rh and six equivalent Si atoms. All Er–Rh bond lengths are 3.31 Å. All Er–Si bond lengths are 3.18 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Er and four equivalent Si atoms. All Rh–Si bond lengths are 2.43 Å. Si is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Rh atoms.
DOI: 10.17188/1275175
title: Materials Data on BaCa4(CuN2)2 by Materials Project

description: BaCa4(CuN2)2 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. Ba2+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Ba–N bond lengths are 2.92 Å. Ca2+ is bonded to four equivalent N3- atoms to form a mixture of edge and corner-sharing CaN4 trigonal pyramids. There are a spread of Ca–N bond distances ranging from 2.39–2.51 Å. Cu1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cu–N bond lengths are 1.87 Å. N3- is bonded to one Ba2+, four equivalent Ca2+, and one Cu1+ atom to form a mixture of distorted edge and corner-sharing NBaCa4Cu octahedra. The corner-sharing octahedra tilt angles range from 0–26°.
DOI: 10.17188/1275176
title: Materials Data on Yb2Tl by Materials Project

description: Yb2Tl is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent Tl atoms to form a mixture of distorted edge and corner-sharing YbTl4 tetrahedra. There are a spread of Yb–Tl bond distances ranging from 3.19–3.28 Å. In the second Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent Tl atoms. There are a spread of Yb–Tl bond distances ranging from 3.37–3.69 Å. Tl is bonded in a 9-coordinate geometry to nine Yb atoms.
DOI: 10.17188/1275177
title: Materials Data on Nd3MnBi5 by Materials Project

description: Nd3MnBi5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Nd is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of Nd–Bi bond distances ranging from 3.24–3.60 Å. Mn is bonded to six equivalent Bi atoms to form face-sharing MnBi6 octahedra. All Mn–Bi bond lengths are 2.95 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to six equivalent Nd and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.18 Å. In the second Bi site, Bi is bonded to five equivalent Nd and two equivalent Mn atoms to form a mixture of distorted edge, face, and corner-sharing BiNd5Mn2 pentagonal bipyramids.
DOI: 10.17188/1275178
title: Materials Data on Pr(GeRu)2 by Materials Project

description: PrRu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight equivalent Ru and eight equivalent Ge atoms. All Pr–Ru bond lengths are 3.32 Å. All Pr–Ge bond lengths are 3.34 Å. Ru is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.46 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.71 Å.
DOI: 10.17188/1275179
title: Materials Data on BP2N2Cl7 by Materials Project

description: BP2N2Cl7 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two BP2N2Cl7 clusters. B3+ is bonded to two equivalent N3- and two Cl1- atoms to form BN2Cl2 tetrahedra that share corners with two equivalent PN2Cl2 tetrahedra and an edgeedge with one BN2Cl2 tetrahedra. There is one shorter (1.55 Å) and one longer (1.56 Å) B–N bond length. There is one shorter (1.86 Å) and one longer (1.87 Å) B–Cl bond length. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to two N3- and two Cl1- atoms to form PN2Cl2 tetrahedra that share a cornercorner with one PNCl3 tetrahedra and corners with two equivalent BN2Cl2 tetrahedra. There is one shorter (1.57 Å) and one longer (1.59 Å) P–N bond length. There are one shorter (2.01 Å) and one longer (2.03 Å) P–Cl bond lengths. In the second P5+ site, P5+ is bonded to one N3- and three Cl1- atoms to form corner-sharing PNCl3 tetrahedra. The P–N bond length is 1.55 Å. There is two shorter (1.99 Å) and one longer (2.00 Å) P–Cl bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted T-shaped geometry to two equivalent B3+ and one P5+ atom. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to two P5+ atoms. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one B3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one B3+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom.
DOI: 10.17188/1275180
title: Materials Data on CoI2 by Materials Project

description: CoI2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one CoI2 sheet oriented in the (0, 0, 1) direction. Co2+ is bonded to six equivalent I1- atoms to form edge-sharing CoI6 octahedra. All Co–I bond lengths are 2.74 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Co2+ atoms.
DOI: 10.17188/1275181
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 seventeen 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: 10.17188/1275182
title: Materials Data on Ba2P7Cl by Materials Project

description: Ba2P7Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 1-coordinate geometry to seven P+0.43- and three equivalent Cl1- atoms. There are a spread of Ba–P bond distances ranging from 3.39–3.48 Å. There are one shorter (3.18 Å) and two longer (3.60 Å) Ba–Cl bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 1-coordinate geometry to eight P+0.43- and one Cl1- atom. There are a spread of Ba–P bond distances ranging from 3.34–3.59 Å. The Ba–Cl bond length is 3.22 Å. There are five inequivalent P+0.43- sites. In the first P+0.43- site, P+0.43- is bonded in a 4-coordinate geometry to one Ba2+ and three P+0.43- atoms. There are one shorter (2.16 Å) and two longer (2.24 Å) P–P bond lengths. In the second P+0.43- site, P+0.43- is bonded to three Ba2+ and two P+0.43- atoms to form PBa3P2 trigonal bipyramids that share corners with two equivalent PBa3P2 square pyramids, corners with two equivalent PBaP3 tetrahedra, corners with two equivalent PBa3P2 trigonal bipyramids, corners with five equivalent ClBa4 trigonal pyramids, an edgeedge with one PBa3P2 square pyramid, edges with three equivalent PBa3P2 trigonal bipyramids, and an edgeedge with one ClBa4 trigonal pyramid. There are one shorter (2.15 Å) and one longer (2.18 Å) P–P bond lengths. In the third P+0.43- site, P+0.43- is bonded to one Ba2+ and three P+0.43- atoms to form PBaP3 tetrahedra that share corners with four equivalent PBa3P2 trigonal bipyramids and corners with three equivalent ClBa4 trigonal pyramids. The P–P bond length is 2.19 Å. In the fourth P+0.43- site, P+0.43- is bonded to three equivalent Ba2+ and two P+0.43- atoms to form distorted PBa3P2 square pyramids that share corners with two equivalent PBa3P2 square pyramids, corners with four equivalent PBa3P2 trigonal bipyramids, corners with three equivalent ClBa4 trigonal pyramids, edges with two equivalent PBa3P2 square pyramids, and edges with two equivalent PBa3P2 trigonal bipyramids. In the fifth P+0.43- site, P+0.43- is bonded in a 5-coordinate geometry to two Ba2+ and three P+0.43- atoms. The P–P bond length is 2.35 Å. Cl1- is bonded to four Ba2+ atoms to form distorted ClBa4 trigonal pyramids that share corners with three equivalent PBa3P2 square pyramids, corners with three equivalent PBaP3 tetrahedra, corners with ten equivalent PBa3P2 trigonal bipyramids, corners with two equivalent ClBa4 trigonal pyramids, edges with two equivalent PBa3P2 trigonal bipyramids, and edges with two equivalent ClBa4 trigonal pyramids.
DOI: 10.17188/1275183
title: Materials Data on Ca3Zn2(CuP2)2 by Materials Project

description: Ca3Zn2(CuP2)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to six P3- atoms to form CaP6 octahedra that share corners with six equivalent CaP6 octahedra, corners with six equivalent ZnP4 tetrahedra, edges with six equivalent CaP6 octahedra, edges with three equivalent ZnP4 tetrahedra, and a faceface with one CaP6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are three shorter (2.94 Å) and three longer (3.05 Å) Ca–P bond lengths. In the second Ca2+ site, Ca2+ is bonded to six equivalent P3- atoms to form a mixture of corner, edge, and face-sharing CaP6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Ca–P bond lengths are 3.06 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Cu–P bond lengths are 2.33 Å. Zn2+ is bonded to four equivalent P3- atoms to form ZnP4 tetrahedra that share corners with six equivalent CaP6 octahedra, corners with six equivalent ZnP4 tetrahedra, edges with three equivalent CaP6 octahedra, and edges with three equivalent ZnP4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–53°. There are three shorter (2.44 Å) and one longer (2.54 Å) Zn–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 3-coordinate geometry to six Ca2+ and three equivalent Cu1+ atoms. In the second P3- site, P3- is bonded to three equivalent Ca2+ and four equivalent Zn2+ atoms to form distorted edge-sharing PCa3Zn4 pentagonal bipyramids.
DOI: 10.17188/1275184
title: Materials Data on NaCe(PSe3)2 by Materials Project

description: NaCe(PSe3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Na–Se bond distances ranging from 3.12–3.59 Å. Ce3+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Ce–Se bond distances ranging from 3.06–3.48 Å. There are two inequivalent P4+ sites. In the first P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.19 Å) and two longer (2.21 Å) P–Se bond lengths. In the second P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.20–2.23 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Na1+, one Ce3+, and one P4+ atom. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent Ce3+, and one P4+ atom. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Na1+, one Ce3+, and one P4+ atom. In the fourth Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one P4+ atom. In the fifth Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Ce3+, and one P4+ atom. In the sixth Se2- site, Se2- is bonded in a 1-coordinate geometry to one Na1+, two equivalent Ce3+, and one P4+ atom.
DOI: 10.17188/1275185
title: Materials Data on Nb(SeBr)2 by Materials Project

description: NbSe2Br2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one NbSe2Br2 sheet oriented in the (0, 0, 1) direction. Nb5+ is bonded in a 8-coordinate geometry to four Se+1.50- and four equivalent Br1- atoms. There are two shorter (2.63 Å) and two longer (2.66 Å) Nb–Se bond lengths. There are two shorter (2.78 Å) and two longer (2.81 Å) Nb–Br bond lengths. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 5-coordinate geometry to two equivalent Nb5+ atoms. In the second Se+1.50- site, Se+1.50- is bonded in a 10-coordinate geometry to two equivalent Nb5+ atoms. Br1- is bonded in a distorted water-like geometry to two equivalent Nb5+ atoms.
DOI: 10.17188/1275186
title: Materials Data on MgCl2 by Materials Project

description: MgCl2 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Mg2+ is bonded to five Cl1- atoms to form corner-sharing MgCl5 trigonal bipyramids. There are a spread of Mg–Cl bond distances ranging from 2.40–2.60 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a trigonal planar geometry to three equivalent Mg2+ atoms. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Mg2+ atoms.
DOI: 10.17188/1275187
title: Materials Data on CaCdAu by Materials Project

description: CaAuCd crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 5-coordinate geometry to five equivalent Au atoms. There are a spread of Ca–Au bond distances ranging from 3.14–3.19 Å. Au is bonded in a 9-coordinate geometry to five equivalent Ca and four equivalent Cd atoms. There are a spread of Au–Cd bond distances ranging from 2.87–2.97 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Au atoms.
DOI: 10.17188/1275188
title: Materials Data on NdOs2 by Materials Project

description: NdOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd3+ is bonded in a 12-coordinate geometry to twelve Os+1.50- atoms. There are a spread of Nd–Os bond distances ranging from 3.16–3.24 Å. There are two inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded to six equivalent Nd3+ and six equivalent Os+1.50- atoms to form a mixture of face, edge, and corner-sharing OsNd6Os6 cuboctahedra. All Os–Os bond lengths are 2.78 Å. In the second Os+1.50- site, Os+1.50- is bonded to six equivalent Nd3+ and six Os+1.50- atoms to form a mixture of face, edge, and corner-sharing OsNd6Os6 cuboctahedra. There are two shorter (2.63 Å) and two longer (2.75 Å) Os–Os bond lengths.
DOI: 10.17188/1275190
title: Materials Data on La4C2Cl5 by Materials Project

description: La4C2Cl5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 5-coordinate geometry to one C+3.50- and six equivalent Cl1- atoms. The La–C bond length is 2.30 Å. There are four shorter (2.95 Å) and two longer (3.36 Å) La–Cl bond lengths. In the second La3+ site, La3+ is bonded to four equivalent C+3.50- and four Cl1- atoms to form a mixture of distorted edge, face, and corner-sharing LaC4Cl4 hexagonal bipyramids. All La–C bond lengths are 2.71 Å. There are two shorter (2.98 Å) and two longer (3.03 Å) La–Cl bond lengths. C+3.50- is bonded in a 6-coordinate geometry to five La3+ and one C+3.50- atom. The C–C bond length is 1.42 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the second Cl1- site, Cl1- is bonded in a square co-planar geometry to four equivalent La3+ atoms.
DOI: 10.17188/1275191
title: Materials Data on Dy2Co17 by Materials Project

description: Dy2Co17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Dy–Co bond distances ranging from 2.90–3.14 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Dy–Co bond distances ranging from 2.95–3.25 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to two Dy and ten Co atoms to form a mixture of distorted edge, corner, and face-sharing CoDy2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.34–2.66 Å. In the second Co site, Co is bonded to two equivalent Dy and ten Co atoms to form CoDy2Co10 cuboctahedra that share corners with twenty-two CoDy3Co9 cuboctahedra, edges with ten CoDy3Co9 cuboctahedra, and faces with eighteen CoDy2Co10 cuboctahedra. There are four shorter (2.40 Å) and two longer (2.55 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 2-coordinate geometry to one Dy and thirteen Co atoms. There are one shorter (2.31 Å) and three longer (2.61 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to three Dy and nine Co atoms to form distorted CoDy3Co9 cuboctahedra that share corners with twenty-three CoDy3Co9 cuboctahedra, edges with ten CoDy3Co9 cuboctahedra, and faces with twenty CoDy2Co10 cuboctahedra. Both Co–Co bond lengths are 2.42 Å.