cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1314796
title: Materials Data on Rb(Mg4Al3)4 by Materials Project

description: Rb(Mg4Al3)4 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Rb is bonded in a 3-coordinate geometry to seven Mg and nine Al atoms. There are a spread of Rb–Mg bond distances ranging from 3.13–3.57 Å. There are six shorter (3.34 Å) and three longer (3.41 Å) Rb–Al bond lengths. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.07–3.18 Å. There are a spread of Mg–Al bond distances ranging from 3.08–3.13 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to one Rb, six Mg, and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.12–3.28 Å. There are a spread of Mg–Al bond distances ranging from 2.82–3.33 Å. In the third Mg site, Mg is bonded in a 3-coordinate geometry to one Rb, seven Mg, and five Al atoms. There are two shorter (3.18 Å) and two longer (3.19 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.97–3.15 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. Both Mg–Mg bond lengths are 3.17 Å. There are a spread of Mg–Al bond distances ranging from 2.91–3.23 Å. In the fifth Mg site, Mg is bonded in a 7-coordinate geometry to one Rb, three equivalent Mg, and twelve Al atoms. There are a spread of Mg–Al bond distances ranging from 3.18–3.29 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to one Rb, eight Mg, and three Al atoms. There are one shorter (2.67 Å) and two longer (2.84 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to one Rb, seven Mg, and three Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–2.90 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms.
DOI: 10.17188/1314797
title: Materials Data on RbAsO3 by Materials Project

description: RbAsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent O2- atoms to form RbO12 cuboctahedra that share corners with twelve equivalent RbO12 cuboctahedra, faces with six equivalent RbO12 cuboctahedra, and faces with eight equivalent AsO6 octahedra. All Rb–O bond lengths are 2.79 Å. As5+ is bonded to six equivalent O2- atoms to form AsO6 octahedra that share corners with six equivalent AsO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All As–O bond lengths are 1.97 Å. O2- is bonded to four equivalent Rb1+ and two equivalent As5+ atoms to form a mixture of distorted face, edge, and corner-sharing ORb4As2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1314798
title: Materials Data on RbAlO3 by Materials Project

description: RbAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to twelve equivalent O atoms to form RbO12 cuboctahedra that share corners with twelve equivalent RbO12 cuboctahedra, faces with six equivalent RbO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Rb–O bond lengths are 2.79 Å. Al is bonded to six equivalent O atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.97 Å. O is bonded in a distorted linear geometry to four equivalent Rb and two equivalent Al atoms.
DOI: 10.17188/1314799
title: Materials Data on Mn3S by Materials Project

description: Mn3S is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a distorted square co-planar geometry to four equivalent S atoms. All Mn–S bond lengths are 2.53 Å. S is bonded to twelve equivalent Mn atoms to form a mixture of face and corner-sharing SMn12 cuboctahedra.
DOI: 10.17188/1314800
title: Materials Data on NdErIn2 by Materials Project

description: ErNdIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Er–In bond lengths are 3.31 Å. Nd is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Nd–In bond lengths are 3.31 Å. In is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Nd atoms.
DOI: 10.17188/1314801
title: Materials Data on InCuO3 by Materials Project

description: CuInO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cu3+ is bonded to six equivalent O2- atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent InO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.89 Å. In3+ is bonded to twelve equivalent O2- atoms to form InO12 cuboctahedra that share corners with twelve equivalent InO12 cuboctahedra, faces with six equivalent InO12 cuboctahedra, and faces with eight equivalent CuO6 octahedra. All In–O bond lengths are 2.68 Å. O2- is bonded in a distorted linear geometry to two equivalent Cu3+ and four equivalent In3+ atoms.
DOI: 10.17188/1314802
title: Materials Data on Hg3Rh by Materials Project

description: RhHg3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rh is bonded to twelve Hg atoms to form RhHg12 cuboctahedra that share corners with four equivalent RhHg12 cuboctahedra, edges with eight equivalent RhHg12 cuboctahedra, edges with sixteen equivalent HgHg8Rh4 cuboctahedra, faces with four equivalent RhHg12 cuboctahedra, and faces with eight equivalent HgHg8Rh4 cuboctahedra. There are four shorter (2.94 Å) and eight longer (3.10 Å) Rh–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded to four equivalent Rh and eight Hg atoms to form HgHg8Rh4 cuboctahedra that share corners with twelve equivalent HgHg8Rh4 cuboctahedra, edges with eight equivalent RhHg12 cuboctahedra, edges with eight equivalent HgHg8Rh4 cuboctahedra, faces with four equivalent RhHg12 cuboctahedra, and faces with ten equivalent HgHg8Rh4 cuboctahedra. There are four shorter (2.94 Å) and four longer (3.10 Å) Hg–Hg bond lengths. In the second Hg site, Hg is bonded in a distorted square co-planar geometry to four equivalent Rh and eight equivalent Hg atoms.
DOI: 10.17188/1314803
title: Materials Data on Hg3Sb by Materials Project

description: (Hg)2HgSb is alpha Niobium phosphide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Hg sheets oriented in the (0, 0, 1) direction and two HgSb sheets oriented in the (0, 0, 1) direction. In each Hg sheet, Hg1+ is bonded in a square co-planar geometry to four equivalent Hg1+ atoms. All Hg–Hg bond lengths are 3.11 Å. In each HgSb sheet, Hg1+ is bonded in a square co-planar geometry to four equivalent Sb3- atoms. All Hg–Sb bond lengths are 3.11 Å. Sb3- is bonded in a square co-planar geometry to four equivalent Hg1+ atoms.
DOI: 10.17188/1314804
title: Materials Data on RbAcO3 by Materials Project

description: RbAcO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to twelve equivalent O atoms to form RbO12 cuboctahedra that share corners with twelve equivalent RbO12 cuboctahedra, faces with six equivalent RbO12 cuboctahedra, and faces with eight equivalent AcO6 octahedra. All Rb–O bond lengths are 3.28 Å. Ac is bonded to six equivalent O atoms to form AcO6 octahedra that share corners with six equivalent AcO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ac–O bond lengths are 2.32 Å. O is bonded in a distorted linear geometry to four equivalent Rb and two equivalent Ac atoms.
DOI: 10.17188/1314805
title: Materials Data on Mn3Hg by Materials Project

description: Mn3Hg is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded to eight equivalent Mn and four equivalent Hg atoms to form distorted MnMn8Hg4 cuboctahedra that share corners with twelve equivalent MnMn8Hg4 cuboctahedra, edges with eight equivalent HgMn12 cuboctahedra, edges with sixteen equivalent MnMn8Hg4 cuboctahedra, faces with four equivalent HgMn12 cuboctahedra, and faces with fourteen equivalent MnMn8Hg4 cuboctahedra. All Mn–Mn bond lengths are 2.84 Å. All Mn–Hg bond lengths are 2.84 Å. Hg is bonded to twelve equivalent Mn atoms to form HgMn12 cuboctahedra that share corners with twelve equivalent HgMn12 cuboctahedra, edges with twenty-four equivalent MnMn8Hg4 cuboctahedra, faces with six equivalent HgMn12 cuboctahedra, and faces with twelve equivalent MnMn8Hg4 cuboctahedra.
DOI: 10.17188/1314806
title: Materials Data on RbAc3 by Materials Project

description: RbAc3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to twelve equivalent Ac atoms to form RbAc12 cuboctahedra that share corners with twelve equivalent RbAc12 cuboctahedra, edges with twenty-four equivalent AcRb4Ac8 cuboctahedra, faces with six equivalent RbAc12 cuboctahedra, and faces with twelve equivalent AcRb4Ac8 cuboctahedra. All Rb–Ac bond lengths are 4.11 Å. Ac is bonded to four equivalent Rb and eight equivalent Ac atoms to form AcRb4Ac8 cuboctahedra that share corners with twelve equivalent AcRb4Ac8 cuboctahedra, edges with eight equivalent RbAc12 cuboctahedra, edges with sixteen equivalent AcRb4Ac8 cuboctahedra, faces with four equivalent RbAc12 cuboctahedra, and faces with fourteen equivalent AcRb4Ac8 cuboctahedra. All Ac–Ac bond lengths are 4.11 Å.
DOI: 10.17188/1314807
title: Materials Data on HfGeO4 by Materials Project

description: HfGeO4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Hf4+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.13 Å) and four longer (2.27 Å) Hf–O bond lengths. Ge4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Ge–O bond lengths are 1.79 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Hf4+ and one Ge4+ atom.
DOI: 10.17188/1314808
title: Materials Data on Rb2CoP4(HO2)8 by Materials Project

description: Rb2CoP4(HO2)8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb1+ is bonded in a 2-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.39 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with four PO4 tetrahedra. There are two shorter (2.08 Å) and four longer (2.11 Å) Co–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one CoO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of P–O bond distances ranging from 1.51–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one CoO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.56 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.51 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Rb1+, one Co2+, and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one P5+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one P5+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Co2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two P5+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one P5+, and one H1+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one P5+, and one H1+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Rb1+, one Co2+, and one P5+ atom.
DOI: 10.5517/ccdc.csd.cc24pspb
title: CCDC 1987152: Experimental Crystal Structure Determination

description: Related Article: Rongkai Du, Juan Xu, Jing Li, Lei Zhang, Lifeng Ning, Shan Li|2021|New J.Chem.|45|1474|doi:10.1039/D0NJ05052K
DOI: 10.17188/1314809
title: Materials Data on RbBa3 by Materials Project

description: RbBa3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb is bonded to twelve Ba atoms to form RbBa12 cuboctahedra that share corners with four equivalent RbBa12 cuboctahedra, corners with eight equivalent BaRb4Ba8 cuboctahedra, edges with eight equivalent RbBa12 cuboctahedra, edges with sixteen equivalent BaRb4Ba8 cuboctahedra, faces with four equivalent RbBa12 cuboctahedra, and faces with fourteen BaRb4Ba8 cuboctahedra. There are four shorter (4.53 Å) and eight longer (4.67 Å) Rb–Ba bond lengths. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded to four equivalent Rb and eight Ba atoms to form BaRb4Ba8 cuboctahedra that share corners with twelve equivalent BaRb4Ba8 cuboctahedra, edges with eight equivalent RbBa12 cuboctahedra, edges with sixteen BaRb4Ba8 cuboctahedra, faces with four equivalent RbBa12 cuboctahedra, and faces with fourteen BaRb4Ba8 cuboctahedra. There are four shorter (4.53 Å) and four longer (4.67 Å) Ba–Ba bond lengths. In the second Ba site, Ba is bonded to four equivalent Rb and eight equivalent Ba atoms to form BaRb4Ba8 cuboctahedra that share corners with four equivalent BaRb4Ba8 cuboctahedra, corners with eight equivalent RbBa12 cuboctahedra, edges with twenty-four BaRb4Ba8 cuboctahedra, faces with six equivalent RbBa12 cuboctahedra, and faces with twelve BaRb4Ba8 cuboctahedra.
DOI: 10.17188/1314810
title: Materials Data on InSb3 by Materials Project

description: InSb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. In3+ is bonded to twelve equivalent Sb1- atoms to form InSb12 cuboctahedra that share corners with twelve equivalent InSb12 cuboctahedra, edges with twenty-four equivalent SbIn4Sb8 cuboctahedra, faces with six equivalent InSb12 cuboctahedra, and faces with twelve equivalent SbIn4Sb8 cuboctahedra. All In–Sb bond lengths are 3.40 Å. Sb1- is bonded to four equivalent In3+ and eight equivalent Sb1- atoms to form distorted SbIn4Sb8 cuboctahedra that share corners with twelve equivalent SbIn4Sb8 cuboctahedra, edges with eight equivalent InSb12 cuboctahedra, edges with sixteen equivalent SbIn4Sb8 cuboctahedra, faces with four equivalent InSb12 cuboctahedra, and faces with fourteen equivalent SbIn4Sb8 cuboctahedra. All Sb–Sb bond lengths are 3.40 Å.
DOI: 10.5517/ccdc.csd.cc24v6dm
title: CCDC 1991390: Experimental Crystal Structure Determination

description: Related Article: Hadiah Fattal, Tielyr D. Creason, Cordell J. Delzer, Aymen Yangui, Jason P. Hayward, Bradley J. Ross, Mao-Hua Du, Daniel T. Glatzhofer, Bayrammurad Saparov|2021|Inorg.Chem.|60|1045|doi:10.1021/acs.inorgchem.0c03164
DOI: 10.17188/1314811
title: Materials Data on InSb3 by Materials Project

description: InSb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. In3+ is bonded in a body-centered cubic geometry to eight equivalent Sb1- atoms. All In–Sb bond lengths are 3.29 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a body-centered cubic geometry to four equivalent In3+ and four equivalent Sb1- atoms. All Sb–Sb bond lengths are 3.29 Å. In the second Sb1- site, Sb1- is bonded in a body-centered cubic geometry to eight equivalent Sb1- atoms.
DOI: 10.17188/1314812
title: Materials Data on NdLuMg2 by Materials Project

description: Mg2LuNd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Nd atoms. All Mg–Lu bond lengths are 3.30 Å. All Mg–Nd bond lengths are 3.30 Å. Lu is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Nd atoms. All Lu–Nd bond lengths are 3.81 Å. Nd is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Lu atoms.
DOI: 10.5517/ccdc.csd.cc25f481
title: CCDC 2008622: Experimental Crystal Structure Determination

description: Related Article: August Runemark, Savannah C. Zacharias, Henrik Sundén|2021|J.Org.Chem.|86|1901|doi:10.1021/acs.joc.0c02819
DOI: 10.17188/1314813
title: Materials Data on NdLuIn2 by Materials Project

description: LuNdIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Lu–In bond lengths are 3.29 Å. Nd is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Nd–In bond lengths are 3.29 Å. In is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Nd atoms.
DOI: 10.17188/1314814
title: Materials Data on Rb by Materials Project

description: Rb is Copper structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb is bonded to twelve equivalent Rb atoms to form a mixture of edge, corner, and face-sharing RbRb12 cuboctahedra. There are four shorter (4.94 Å) and eight longer (5.11 Å) Rb–Rb bond lengths.
DOI: 10.17188/1314815
title: Materials Data on NdMgO3 by Materials Project

description: MgNdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra and faces with eight equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 1.95 Å. Nd is bonded to twelve equivalent O atoms to form NdO12 cuboctahedra that share corners with twelve equivalent NdO12 cuboctahedra, faces with six equivalent NdO12 cuboctahedra, and faces with eight equivalent MgO6 octahedra. All Nd–O bond lengths are 2.76 Å. O is bonded in a distorted linear geometry to two equivalent Mg and four equivalent Nd atoms.
DOI: 10.17188/1314816
title: Materials Data on NdLuTl2 by Materials Project

description: LuNdTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Lu–Tl bond lengths are 3.32 Å. Nd is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Nd–Tl bond lengths are 3.32 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Nd atoms.
DOI: 10.17188/1314817
title: Materials Data on InGe3 by Materials Project

description: InGe3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. In is bonded to twelve equivalent Ge atoms to form a mixture of face and corner-sharing InGe12 cuboctahedra. All In–Ge bond lengths are 3.11 Å. Ge is bonded in a distorted square co-planar geometry to four equivalent In atoms.
DOI: 10.5517/ccdc.csd.cc25ln2j
title: CCDC 2013917: Experimental Crystal Structure Determination

description: Related Article: Jun-Yi Li, Qiu-Ling Xu, Si-Yu Ye, Liang Tong, Xiang Chen, Li-Zhuang Chen|2021|Chem.Commun.|57|943|doi:10.1039/D0CC07377F
DOI: 10.5517/ccdc.csd.cc25ln3k
title: CCDC 2013918: Experimental Crystal Structure Determination

description: Related Article: Jun-Yi Li, Qiu-Ling Xu, Si-Yu Ye, Liang Tong, Xiang Chen, Li-Zhuang Chen|2021|Chem.Commun.|57|943|doi:10.1039/D0CC07377F
DOI: 10.17188/1314818
title: Materials Data on NdDyTl2 by Materials Project

description: DyNdTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Dy–Tl bond lengths are 3.34 Å. Nd is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Nd–Tl bond lengths are 3.34 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Nd atoms.
DOI: 10.5517/ccdc.csd.cc25ln4l
title: CCDC 2013919: Experimental Crystal Structure Determination

description: Related Article: Jun-Yi Li, Qiu-Ling Xu, Si-Yu Ye, Liang Tong, Xiang Chen, Li-Zhuang Chen|2021|Chem.Commun.|57|943|doi:10.1039/D0CC07377F
DOI: 10.17188/1314819
title: Materials Data on RbAl by Materials Project

description: AlRb is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Rb–Al bond lengths are 3.74 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Rb atoms.
DOI: 10.17188/1314820
title: Materials Data on RbCr5Te8 by Materials Project

description: RbCr5Te8 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to ten Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.84–4.07 Å. There are three inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing CrTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two shorter (2.73 Å) and four longer (2.75 Å) Cr–Te bond lengths. In the second Cr3+ site, Cr3+ is bonded to six Te2- atoms to form a mixture of edge, face, and corner-sharing CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of Cr–Te bond distances ranging from 2.71–2.87 Å. In the third Cr3+ site, Cr3+ is bonded to six Te2- atoms to form a mixture of edge, face, and corner-sharing CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of Cr–Te bond distances ranging from 2.70–2.84 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to one Rb1+ and four Cr3+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Cr3+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and three equivalent Cr3+ atoms. In the fourth Te2- site, Te2- is bonded in a 5-coordinate geometry to five Cr3+ atoms.