cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1315805
title: Materials Data on Tm2CuTc by Materials Project

description: Tm2TcCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Cu atoms. All Tm–Tc bond lengths are 2.92 Å. All Tm–Cu bond lengths are 2.92 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1315806
title: Materials Data on YbAgGe by Materials Project

description: YbAgGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 5-coordinate geometry to six equivalent Ag and five Ge atoms. There are two shorter (3.22 Å) and four longer (3.43 Å) Yb–Ag bond lengths. There are one shorter (3.02 Å) and four longer (3.05 Å) Yb–Ge bond lengths. Ag is bonded to six equivalent Yb, two equivalent Ag, and four Ge atoms to form a mixture of distorted face, edge, and corner-sharing AgYb6Ag2Ge4 cuboctahedra. Both Ag–Ag bond lengths are 2.99 Å. There are two shorter (2.74 Å) and two longer (2.80 Å) Ag–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent Ag atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Ag atoms.
DOI: 10.17188/1315807
title: Materials Data on K2AgP by Materials Project

description: K2AgP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. There are a spread of K–P bond distances ranging from 3.37–3.57 Å. Ag1+ is bonded in a linear geometry to two equivalent P3- atoms. Both Ag–P bond lengths are 2.47 Å. P3- is bonded in a 10-coordinate geometry to eight equivalent K1+ and two equivalent Ag1+ atoms.
DOI: 10.17188/1315808
title: Materials Data on Sr2Sn by Materials Project

description: Sr2Sn is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Sr–Sn bond distances ranging from 3.51–3.97 Å. In the second Sr site, Sr is bonded to four equivalent Sn atoms to form a mixture of corner and edge-sharing SrSn4 tetrahedra. There are a spread of Sr–Sn bond distances ranging from 3.35–3.44 Å. Sn is bonded in a 9-coordinate geometry to nine Sr atoms.
DOI: 10.17188/1315809
title: Materials Data on RbHfAgTe3 by Materials Project

description: RbHfAgTe3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.70–4.31 Å. Hf4+ is bonded to six Te2- atoms to form edge-sharing HfTe6 octahedra. There are a spread of Hf–Te bond distances ranging from 2.83–2.99 Å. Ag1+ is bonded in a 4-coordinate geometry to two equivalent Ag1+ and four Te2- atoms. Both Ag–Ag bond lengths are 3.01 Å. There are a spread of Ag–Te bond distances ranging from 2.79–2.95 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to three equivalent Rb1+, one Hf4+, and three equivalent Ag1+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Rb1+, two equivalent Hf4+, and one Ag1+ atom. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three equivalent Hf4+ atoms.
DOI: 10.17188/1315810
title: Materials Data on Tb3Nd by Materials Project

description: Tb3Nd is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded to eight Tb and four equivalent Nd atoms to form TbTb8Nd4 cuboctahedra that share corners with four equivalent NdTb12 cuboctahedra, corners with fourteen TbTb8Nd4 cuboctahedra, edges with six equivalent NdTb12 cuboctahedra, edges with twelve TbTb8Nd4 cuboctahedra, faces with four equivalent NdTb12 cuboctahedra, and faces with sixteen TbTb8Nd4 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.56–3.67 Å. There are two shorter (3.58 Å) and two longer (3.65 Å) Tb–Nd bond lengths. In the second Tb site, Tb is bonded to eight Tb and four equivalent Nd atoms to form TbTb8Nd4 cuboctahedra that share corners with four equivalent NdTb12 cuboctahedra, corners with fourteen TbTb8Nd4 cuboctahedra, edges with six equivalent NdTb12 cuboctahedra, edges with twelve TbTb8Nd4 cuboctahedra, faces with four equivalent NdTb12 cuboctahedra, and faces with sixteen TbTb8Nd4 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.56–3.67 Å. There are two shorter (3.58 Å) and two longer (3.65 Å) Tb–Nd bond lengths. In the third Tb site, Tb is bonded to eight Tb and four equivalent Nd atoms to form TbTb8Nd4 cuboctahedra that share corners with four equivalent NdTb12 cuboctahedra, corners with fourteen TbTb8Nd4 cuboctahedra, edges with six equivalent NdTb12 cuboctahedra, edges with twelve TbTb8Nd4 cuboctahedra, faces with four equivalent NdTb12 cuboctahedra, and faces with sixteen TbTb8Nd4 cuboctahedra. There are two shorter (3.58 Å) and two longer (3.65 Å) Tb–Nd bond lengths. Nd is bonded to twelve Tb atoms to form NdTb12 cuboctahedra that share corners with six equivalent NdTb12 cuboctahedra, corners with twelve TbTb8Nd4 cuboctahedra, edges with eighteen TbTb8Nd4 cuboctahedra, faces with eight equivalent NdTb12 cuboctahedra, and faces with twelve TbTb8Nd4 cuboctahedra.
DOI: 10.17188/1315811
title: Materials Data on HgOs by Materials Project

description: OsHg crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Os2- is bonded to six equivalent Os2- and six equivalent Hg2+ atoms to form OsHg6Os6 cuboctahedra that share corners with eighteen equivalent OsHg6Os6 cuboctahedra, edges with six equivalent OsHg6Os6 cuboctahedra, edges with twelve equivalent HgHg6Os6 cuboctahedra, faces with eight equivalent OsHg6Os6 cuboctahedra, and faces with twelve equivalent HgHg6Os6 cuboctahedra. All Os–Os bond lengths are 2.89 Å. All Os–Hg bond lengths are 2.92 Å. Hg2+ is bonded to six equivalent Os2- and six equivalent Hg2+ atoms to form HgHg6Os6 cuboctahedra that share corners with eighteen equivalent HgHg6Os6 cuboctahedra, edges with six equivalent HgHg6Os6 cuboctahedra, edges with twelve equivalent OsHg6Os6 cuboctahedra, faces with eight equivalent HgHg6Os6 cuboctahedra, and faces with twelve equivalent OsHg6Os6 cuboctahedra. All Hg–Hg bond lengths are 2.89 Å.
DOI: 10.17188/1315812
title: Materials Data on LaSn2Pd by Materials Project

description: LaPdSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to four equivalent Pd and ten Sn atoms. All La–Pd bond lengths are 3.53 Å. There are a spread of La–Sn bond distances ranging from 3.51–3.66 Å. Pd is bonded in a 9-coordinate geometry to four equivalent La and five Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.60–2.72 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Pd atoms. In the second Sn site, Sn is bonded in a 1-coordinate geometry to six equivalent La, one Pd, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.83 Å.
DOI: 10.17188/1315813
title: Materials Data on Rb3Sm by Materials Project

description: Rb3Sm is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to eight equivalent Rb and four equivalent Sm atoms to form RbRb8Sm4 cuboctahedra that share corners with twelve equivalent RbRb8Sm4 cuboctahedra, edges with eight equivalent SmRb12 cuboctahedra, edges with sixteen equivalent RbRb8Sm4 cuboctahedra, faces with four equivalent SmRb12 cuboctahedra, and faces with fourteen equivalent RbRb8Sm4 cuboctahedra. All Rb–Rb bond lengths are 4.55 Å. All Rb–Sm bond lengths are 4.55 Å. Sm is bonded to twelve equivalent Rb atoms to form SmRb12 cuboctahedra that share corners with twelve equivalent SmRb12 cuboctahedra, edges with twenty-four equivalent RbRb8Sm4 cuboctahedra, faces with six equivalent SmRb12 cuboctahedra, and faces with twelve equivalent RbRb8Sm4 cuboctahedra.
DOI: 10.17188/1315814
title: Materials Data on Ho4Ga16Co3 by Materials Project

description: Ho4Co3Ga16 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ho is bonded to twelve Ga atoms to form HoGa12 cuboctahedra that share corners with eight equivalent HoGa12 cuboctahedra, edges with two equivalent GaHo4Ga8 cuboctahedra, faces with two equivalent GaHo4Ga8 cuboctahedra, faces with five equivalent HoGa12 cuboctahedra, and faces with two equivalent CoGa6 octahedra. There are a spread of Ho–Ga bond distances ranging from 2.99–3.03 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.49 Å. In the second Co site, Co is bonded to six Ga atoms to form CoGa6 octahedra that share corners with eight equivalent GaHo4Ga8 cuboctahedra and faces with eight equivalent HoGa12 cuboctahedra. There are four shorter (2.39 Å) and two longer (2.42 Å) Co–Ga bond lengths. There are seven inequivalent Ga sites. In the first Ga site, Ga is bonded in a 5-coordinate geometry to four equivalent Ho, one Co, and four Ga atoms. All Ga–Ga bond lengths are 2.81 Å. In the second Ga site, Ga is bonded to four equivalent Ho and eight Ga atoms to form distorted GaHo4Ga8 cuboctahedra that share corners with four equivalent GaHo4Ga8 cuboctahedra, corners with four equivalent CoGa6 octahedra, edges with four equivalent HoGa12 cuboctahedra, a faceface with one GaHo4Ga8 cuboctahedra, and faces with four equivalent HoGa12 cuboctahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.87 Å) and four longer (2.96 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Ho, one Co, and four Ga atoms. Both Ga–Ga bond lengths are 2.64 Å. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Ho, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.58–3.01 Å. In the fifth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Ho, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.58–3.01 Å. In the sixth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Ho, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.58–3.01 Å. In the seventh Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Ho, two equivalent Co, and seven Ga atoms. Both Ga–Ho bond lengths are 2.99 Å. There are one shorter (2.81 Å) and one longer (2.96 Å) Ga–Ga bond lengths.
DOI: 10.17188/1315815
title: Materials Data on Pr2ZnAg by Materials Project

description: Pr2AgZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Zn atoms. All Pr–Ag bond lengths are 3.26 Å. All Pr–Zn bond lengths are 3.26 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1315816
title: Materials Data on PrVGe3 by Materials Project

description: PrVGe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Ge atoms to form distorted PrGe12 cuboctahedra that share corners with six equivalent PrGe12 cuboctahedra, corners with six equivalent VGe6 octahedra, faces with eight equivalent PrGe12 cuboctahedra, and faces with six equivalent VGe6 octahedra. The corner-sharing octahedral tilt angles are 28°. There are six shorter (3.16 Å) and six longer (3.21 Å) Pr–Ge bond lengths. V is bonded to six equivalent Ge atoms to form VGe6 octahedra that share corners with six equivalent PrGe12 cuboctahedra, faces with six equivalent PrGe12 cuboctahedra, and faces with two equivalent VGe6 octahedra. All V–Ge bond lengths are 2.54 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Pr, two equivalent V, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.63 Å.
DOI: 10.17188/1315817
title: Materials Data on Pr2TlAg by Materials Project

description: Pr2AgTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Tl atoms. All Pr–Ag bond lengths are 3.35 Å. All Pr–Tl bond lengths are 3.35 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1315818
title: Materials Data on PrMo3 by Materials Project

description: PrMo3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to twelve equivalent Mo atoms. There are six shorter (3.27 Å) and six longer (3.43 Å) Pr–Mo bond lengths. Mo is bonded in a 10-coordinate geometry to four equivalent Pr and six equivalent Mo atoms. There are two shorter (2.65 Å) and four longer (2.69 Å) Mo–Mo bond lengths.
DOI: 10.17188/1315819
title: Materials Data on PrLu3 by Materials Project

description: Lu3Pr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded to eight Lu and four equivalent Pr atoms to form LuPr4Lu8 cuboctahedra that share corners with four equivalent PrLu12 cuboctahedra, corners with fourteen equivalent LuPr4Lu8 cuboctahedra, edges with six equivalent PrLu12 cuboctahedra, edges with twelve LuPr4Lu8 cuboctahedra, faces with four equivalent PrLu12 cuboctahedra, and faces with sixteen LuPr4Lu8 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.47–3.64 Å. There are two shorter (3.51 Å) and two longer (3.58 Å) Lu–Pr bond lengths. In the second Lu site, Lu is bonded to eight Lu and four equivalent Pr atoms to form LuPr4Lu8 cuboctahedra that share corners with four equivalent PrLu12 cuboctahedra, corners with fourteen LuPr4Lu8 cuboctahedra, edges with six equivalent PrLu12 cuboctahedra, edges with twelve LuPr4Lu8 cuboctahedra, faces with four equivalent PrLu12 cuboctahedra, and faces with sixteen LuPr4Lu8 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.47–3.64 Å. There are two shorter (3.51 Å) and two longer (3.58 Å) Lu–Pr bond lengths. In the third Lu site, Lu is bonded to eight Lu and four equivalent Pr atoms to form LuPr4Lu8 cuboctahedra that share corners with four equivalent PrLu12 cuboctahedra, corners with fourteen LuPr4Lu8 cuboctahedra, edges with six equivalent PrLu12 cuboctahedra, edges with twelve LuPr4Lu8 cuboctahedra, faces with four equivalent PrLu12 cuboctahedra, and faces with sixteen LuPr4Lu8 cuboctahedra. There are two shorter (3.51 Å) and two longer (3.58 Å) Lu–Pr bond lengths. Pr is bonded to twelve Lu atoms to form PrLu12 cuboctahedra that share corners with six equivalent PrLu12 cuboctahedra, corners with twelve LuPr4Lu8 cuboctahedra, edges with eighteen LuPr4Lu8 cuboctahedra, faces with eight equivalent PrLu12 cuboctahedra, and faces with twelve LuPr4Lu8 cuboctahedra.
DOI: 10.17188/1315820
title: Materials Data on PrGeRu by Materials Project

description: PrRuGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to four equivalent Ru and five equivalent Ge atoms. All Pr–Ru bond lengths are 3.08 Å. There are four shorter (3.18 Å) and one longer (3.45 Å) Pr–Ge bond lengths. Ru is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.53 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Pr and four equivalent Ru atoms.
DOI: 10.17188/1315821
title: Materials Data on Pr2Fe17C3 by Materials Project

description: Pr2Fe17C3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded in a distorted trigonal planar geometry to four Fe and three equivalent C atoms. There are one shorter (3.13 Å) and three longer (3.38 Å) Pr–Fe bond lengths. All Pr–C bond lengths are 2.54 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Pr and ten Fe atoms to form distorted FePr2Fe10 cuboctahedra that share corners with four equivalent FePr2Fe10 cuboctahedra, corners with two equivalent CPr2Fe4 octahedra, faces with four equivalent FePr2Fe10 cuboctahedra, and faces with four equivalent CPr2Fe4 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Fe–Fe bond distances ranging from 2.46–2.69 Å. In the second Fe site, Fe is bonded in a single-bond geometry to four Fe and one C atom. Both Fe–Fe bond lengths are 2.76 Å. The Fe–C bond length is 1.90 Å. In the third Fe site, Fe is bonded in a single-bond geometry to three Fe and one C atom. The Fe–Fe bond length is 2.67 Å. The Fe–C bond length is 1.91 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Pr and thirteen Fe atoms. The Fe–Fe bond length is 2.36 Å. C is bonded to two equivalent Pr and four Fe atoms to form CPr2Fe4 octahedra that share corners with two equivalent FePr2Fe10 cuboctahedra, corners with four equivalent CPr2Fe4 octahedra, and faces with four equivalent FePr2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.
DOI: 10.17188/1315822
title: Materials Data on PrCuGe2 by Materials Project

description: PrCuGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Cu and ten Ge atoms. All Pr–Cu bond lengths are 3.26 Å. There are a spread of Pr–Ge bond distances ranging from 3.22–3.34 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are one shorter (2.39 Å) and four longer (2.50 Å) Cu–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Cu atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Pr, one Cu, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.52 Å.
DOI: 10.17188/1315823
title: Materials Data on Ho2S3 by Materials Project

description: Ho2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent S2- atoms to form a mixture of corner, edge, and face-sharing HoS6 octahedra. The corner-sharing octahedra tilt angles range from 47–61°. There are three shorter (2.70 Å) and three longer (2.78 Å) Ho–S bond lengths. S2- is bonded to four equivalent Ho3+ atoms to form a mixture of distorted corner and edge-sharing SHo4 trigonal pyramids.
DOI: 10.17188/1315824
title: Materials Data on NdHo3 by Materials Project

description: Ho3Nd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to eight equivalent Ho and four equivalent Nd atoms to form HoNd4Ho8 cuboctahedra that share corners with twelve equivalent HoNd4Ho8 cuboctahedra, edges with eight equivalent NdHo12 cuboctahedra, edges with sixteen equivalent HoNd4Ho8 cuboctahedra, faces with four equivalent NdHo12 cuboctahedra, and faces with fourteen equivalent HoNd4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.57 Å. All Ho–Nd bond lengths are 3.57 Å. Nd is bonded to twelve equivalent Ho atoms to form NdHo12 cuboctahedra that share corners with twelve equivalent NdHo12 cuboctahedra, edges with twenty-four equivalent HoNd4Ho8 cuboctahedra, faces with six equivalent NdHo12 cuboctahedra, and faces with twelve equivalent HoNd4Ho8 cuboctahedra.
DOI: 10.17188/1315825
title: Materials Data on Pr2CdPb by Materials Project

description: Pr2CdPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Pb atoms. All Pr–Cd bond lengths are 3.39 Å. All Pr–Pb bond lengths are 3.39 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1315826
title: Materials Data on Pu3Au by Materials Project

description: Pu3Au is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to four equivalent Pu and four equivalent Au atoms to form a mixture of distorted corner, edge, and face-sharing PuPu4Au4 tetrahedra. All Pu–Pu bond lengths are 2.92 Å. All Pu–Au bond lengths are 2.92 Å. In the second Pu site, Pu is bonded in a 8-coordinate geometry to eight equivalent Pu and six equivalent Au atoms. All Pu–Au bond lengths are 3.37 Å. Au is bonded in a distorted body-centered cubic geometry to fourteen Pu atoms.
DOI: 10.17188/1315827
title: Materials Data on HoMnB4 by Materials Project

description: HoMnB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ho3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Ho–B bond distances ranging from 2.58–2.71 Å. Mn3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Mn–B bond distances ranging from 2.24–2.28 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ho3+, two equivalent Mn3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.73–1.83 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ho3+, two equivalent Mn3+, and three B+1.50- atoms. The B–B bond length is 1.79 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ho3+, two equivalent Mn3+, and three B+1.50- atoms. There is one shorter (1.72 Å) and one longer (1.78 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Ho3+, four equivalent Mn3+, and three B+1.50- atoms. The B–B bond length is 1.70 Å.