cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1204449
title: Materials Data on SbKr3F11 by Materials Project

description: Kr2F3KrF2SbF6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Kr2F3 clusters, two KrF2 clusters, and two SbF6 clusters. In each Kr2F3 cluster, there are two inequivalent Kr sites. In the first Kr site, Kr is bonded in a linear geometry to two F atoms. There is one shorter (1.85 Å) and one longer (2.09 Å) Kr–F bond length. In the second Kr site, Kr is bonded in a linear geometry to two F atoms. There is one shorter (1.86 Å) and one longer (2.08 Å) Kr–F bond length. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Kr atom. In the second F site, F is bonded in a bent 150 degrees geometry to two Kr atoms. In the third F site, F is bonded in a single-bond geometry to one Kr atom. In each KrF2 cluster, Kr is bonded in a linear geometry to two equivalent F atoms. There is one shorter (1.93 Å) and one longer (1.94 Å) Kr–F bond length. F is bonded in a single-bond geometry to one Kr atom. In each SbF6 cluster, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.91–1.93 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a single-bond geometry to one Sb atom. In the sixth F site, F is bonded in a single-bond geometry to one Sb atom.
DOI: 10.17188/1204450
title: Materials Data on As2Kr3F16 by Materials Project

description: Kr2F3KrAsF7AsF6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four AsF6 clusters, four Kr2F3 clusters, and four KrAsF7 clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six F atoms. There is three shorter (1.77 Å) and three longer (1.78 Å) As–F bond length. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one As atom. In the second F site, F is bonded in a single-bond geometry to one As atom. In the third F site, F is bonded in a single-bond geometry to one As atom. In the fourth F site, F is bonded in a single-bond geometry to one As atom. In the fifth F site, F is bonded in a single-bond geometry to one As atom. In the sixth F site, F is bonded in a single-bond geometry to one As atom. In each Kr2F3 cluster, there are two inequivalent Kr sites. In the first Kr site, Kr is bonded in a linear geometry to two F atoms. There is one shorter (1.85 Å) and one longer (2.09 Å) Kr–F bond length. In the second Kr site, Kr is bonded in a linear geometry to two F atoms. There is one shorter (1.85 Å) and one longer (2.09 Å) Kr–F bond length. There are three inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to two Kr atoms. In the second F site, F is bonded in a single-bond geometry to one Kr atom. In the third F site, F is bonded in a single-bond geometry to one Kr atom. In each KrAsF7 cluster, Kr is bonded in a linear geometry to two F atoms. There is one shorter (1.85 Å) and one longer (2.09 Å) Kr–F bond length. As is bonded in an octahedral geometry to six F atoms. There are a spread of As–F bond distances ranging from 1.74–2.01 Å. There are seven inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Kr atom. In the second F site, F is bonded in a bent 120 degrees geometry to one Kr and one As atom. In the third F site, F is bonded in a single-bond geometry to one As atom. In the fourth F site, F is bonded in a single-bond geometry to one As atom. In the fifth F site, F is bonded in a single-bond geometry to one As atom. In the sixth F site, F is bonded in a single-bond geometry to one As atom. In the seventh F site, F is bonded in a single-bond geometry to one As atom.
DOI: 10.17188/1204451
title: Materials Data on Rb2ZnI4 by Materials Project

description: Rb2ZnI4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 3.83–4.30 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.69–4.38 Å. Zn2+ is bonded in a tetrahedral geometry to four I1- atoms. There are one shorter (2.64 Å) and three longer (2.65 Å) Zn–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to five Rb1+ and one Zn2+ atom. In the second I1- site, I1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the third I1- site, I1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom.
DOI: 10.17188/1204452
title: Materials Data on ZrCu2Te3 by Materials Project

description: Cu2ZrTe3 is Hausmannite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Zr4+ is bonded to six Te2- atoms to form distorted ZrTe6 octahedra that share corners with nine CuTe4 tetrahedra, edges with four equivalent ZrTe6 octahedra, edges with two equivalent CuTe4 tetrahedra, and a faceface with one CuTe4 tetrahedra. There are a spread of Zr–Te bond distances ranging from 2.78–3.14 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with two equivalent ZrTe6 octahedra, corners with four CuTe4 tetrahedra, edges with two equivalent ZrTe6 octahedra, and an edgeedge with one CuTe4 tetrahedra. The corner-sharing octahedral tilt angles are 71°. There are a spread of Cu–Te bond distances ranging from 2.60–2.69 Å. In the second Cu1+ site, Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with seven equivalent ZrTe6 octahedra, corners with four CuTe4 tetrahedra, edges with two equivalent CuTe4 tetrahedra, and a faceface with one ZrTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–62°. There are a spread of Cu–Te bond distances ranging from 2.62–2.73 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Zr4+ and two equivalent Cu1+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Zr4+ and three equivalent Cu1+ atoms. In the third Te2- site, Te2- is bonded to one Zr4+ and three Cu1+ atoms to form distorted corner-sharing TeZrCu3 tetrahedra.
DOI: 10.17188/1204453
title: Materials Data on K5Sb4 by Materials Project

description: K5Sb4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Sb+1.25- atoms. There are five shorter (3.70 Å) and two longer (3.78 Å) K–Sb bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Sb+1.25- atoms. There are a spread of K–Sb bond distances ranging from 3.72–3.83 Å. In the third K1+ site, K1+ is bonded in a square co-planar geometry to four equivalent Sb+1.25- atoms. All K–Sb bond lengths are 3.58 Å. There are two inequivalent Sb+1.25- sites. In the first Sb+1.25- site, Sb+1.25- is bonded in a 9-coordinate geometry to eight K1+ and one Sb+1.25- atom. The Sb–Sb bond length is 2.83 Å. In the second Sb+1.25- site, Sb+1.25- is bonded in a 9-coordinate geometry to seven K1+ and two Sb+1.25- atoms. The Sb–Sb bond length is 2.87 Å.
DOI: 10.17188/1204454
title: Materials Data on Eu(AlCl4)2 by Materials Project

description: Eu(AlCl4)2 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Eu(AlCl4)2 sheet oriented in the (1, 0, 0) direction. Eu2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Eu–Cl bond distances ranging from 3.05–3.08 Å. Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. All Al–Cl bond lengths are 2.16 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Eu2+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Eu2+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Eu2+ and one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Eu2+ and one Al3+ atom.
DOI: 10.17188/1204455
title: Materials Data on Ba(AlCl4)2 by Materials Project

description: Ba(AlCl4)2 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Ba(AlCl4)2 sheet oriented in the (1, 0, 0) direction. Ba2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Ba–Cl bond distances ranging from 3.23–3.25 Å. Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.16 Å) and one longer (2.17 Å) Al–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ba2+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Ba2+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ba2+ and one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Ba2+ and one Al3+ atom.
DOI: 10.17188/1204456
title: Materials Data on Sr(AlCl4)2 by Materials Project

description: Sr(AlCl4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional and consists of two Sr(AlCl4)2 frameworks. Sr2+ is bonded to eight Cl1- atoms to form distorted SrCl8 hexagonal bipyramids that share edges with four AlCl4 tetrahedra. There are a spread of Sr–Cl bond distances ranging from 3.08–3.13 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four Cl1- atoms to form AlCl4 tetrahedra that share edges with two equivalent SrCl8 hexagonal bipyramids. All Al–Cl bond lengths are 2.16 Å. In the second Al3+ site, Al3+ is bonded to four Cl1- atoms to form AlCl4 tetrahedra that share edges with two equivalent SrCl8 hexagonal bipyramids. All Al–Cl bond lengths are 2.16 Å. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the sixth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the seventh Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the eighth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom.
DOI: 10.17188/1204457
title: Materials Data on DyBr2 by Materials Project

description: DyBr2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Dy is bonded in a 7-coordinate geometry to seven Br atoms. There are a spread of Dy–Br bond distances ranging from 2.90–3.22 Å. There are two inequivalent Br sites. In the first Br site, Br is bonded to four equivalent Dy atoms to form a mixture of distorted corner and edge-sharing BrDy4 tetrahedra. In the second Br site, Br is bonded in a trigonal planar geometry to three equivalent Dy atoms.
DOI: 10.17188/1204458
title: Materials Data on Sr3Te4O11 by Materials Project

description: Sr3Te4O11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–3.03 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.84 Å. In the third Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.84 Å. There are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is two shorter (1.89 Å) and one longer (1.92 Å) Te–O bond length. In the second Te4+ site, Te4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.21 Å. In the third Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.56 Å. In the fourth Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.81 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Sr2+ and two Te4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two Te4+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Te4+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one Te4+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Sr2+ and one Te4+ atom. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Te4+ atom. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Te4+ atom.
DOI: 10.17188/1204459
title: Materials Data on RbCrCl3 by Materials Project

description: RbCrCl3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.37–3.72 Å. There are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded to six Cl1- atoms to form face-sharing CrCl6 octahedra. There are a spread of Cr–Cl bond distances ranging from 2.38–2.87 Å. In the second Cr2+ site, Cr2+ is bonded to six Cl1- atoms to form face-sharing CrCl6 octahedra. There are a spread of Cr–Cl bond distances ranging from 2.38–2.85 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to three equivalent Rb1+ and two Cr2+ atoms. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms.
DOI: 10.17188/1204460
title: Materials Data on YSi2Rh3 by Materials Project

description: YRh3Si2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to twelve equivalent Rh and six equivalent Si atoms. All Y–Rh bond lengths are 3.32 Å. All Y–Si bond lengths are 3.19 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Y and four equivalent Si atoms. All Rh–Si bond lengths are 2.44 Å. Si is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Rh atoms.
DOI: 10.17188/1204461
title: Materials Data on Ga3Ni13Ge6 by Materials Project

description: Ga3Ge6Ni13 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. there are eight inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to five Ni, one Ga, and five Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.54–2.68 Å. The Ni–Ga bond length is 2.51 Å. There are a spread of Ni–Ge bond distances ranging from 2.39–2.64 Å. In the second Ni site, Ni is bonded to six Ni, two equivalent Ga, and four Ge atoms to form a mixture of distorted edge, corner, and face-sharing NiGa2Ni6Ge4 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.66 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.49 Å. There are two shorter (2.43 Å) and two longer (2.54 Å) Ni–Ge bond lengths. In the third Ni site, Ni is bonded in a 11-coordinate geometry to five Ni, three Ga, and three Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.56–2.65 Å. There are a spread of Ni–Ga bond distances ranging from 2.48–2.59 Å. There are a spread of Ni–Ge bond distances ranging from 2.34–2.47 Å. In the fourth Ni site, Ni is bonded to six Ni, two equivalent Ga, and four Ge atoms to form a mixture of distorted edge, corner, and face-sharing NiGa2Ni6Ge4 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.69 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.49 Å. There are two shorter (2.44 Å) and two longer (2.54 Å) Ni–Ge bond lengths. In the fifth Ni site, Ni is bonded to six Ni, two equivalent Ga, and four Ge atoms to form a mixture of distorted edge, corner, and face-sharing NiGa2Ni6Ge4 cuboctahedra. Both Ni–Ga bond lengths are 2.50 Å. There are two shorter (2.51 Å) and two longer (2.62 Å) Ni–Ge bond lengths. In the sixth Ni site, Ni is bonded in a 4-coordinate geometry to six Ni, two Ga, and five Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.54–2.65 Å. There are one shorter (2.50 Å) and one longer (2.94 Å) Ni–Ga bond lengths. There are a spread of Ni–Ge bond distances ranging from 2.45–2.86 Å. In the seventh Ni site, Ni is bonded to six Ni, one Ga, and five Ge atoms to form a mixture of distorted edge, corner, and face-sharing NiGaNi6Ge5 cuboctahedra. There are one shorter (2.61 Å) and one longer (2.62 Å) Ni–Ni bond lengths. The Ni–Ga bond length is 2.52 Å. There are a spread of Ni–Ge bond distances ranging from 2.49–2.65 Å. In the eighth Ni site, Ni is bonded in a 6-coordinate geometry to five Ni, two Ga, and four Ge atoms. There are one shorter (2.48 Å) and one longer (2.50 Å) Ni–Ga bond lengths. There are a spread of Ni–Ge bond distances ranging from 2.37–2.59 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight Ni atoms. In the second Ga site, Ga is bonded in a 7-coordinate geometry to eight Ni atoms. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to nine Ni atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to ten Ni atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to nine Ni atoms.
DOI: 10.17188/1204462
title: Materials Data on Zn6Ni7Ge2 by Materials Project

description: Ni7Zn6Ge2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a body-centered cubic geometry to six Zn and two equivalent Ge atoms. There are a spread of Ni–Zn bond distances ranging from 2.48–2.51 Å. Both Ni–Ge bond lengths are 2.49 Å. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight Zn atoms. There are four shorter (2.49 Å) and four longer (2.52 Å) Ni–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to seven Ni and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.86 Å. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight Ni atoms. Ge is bonded to six equivalent Ni and six equivalent Zn atoms to form face-sharing GeZn6Ni6 cuboctahedra.
DOI: 10.17188/1204463
title: Materials Data on CaI2 by Materials Project

description: CaI2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one CaI2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded to six equivalent I1- atoms to form edge-sharing CaI6 octahedra. All Ca–I bond lengths are 3.16 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Ca2+ atoms.
DOI: 10.17188/1204464
title: Materials Data on TlIO4 by Materials Project

description: TlO4I crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Tl3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.94 Å) and four longer (3.02 Å) Tl–O bond lengths. O2- is bonded in a distorted single-bond geometry to two equivalent Tl3+ and one I5+ atom. The O–I bond length is 1.80 Å. I5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms.
DOI: 10.17188/1204465
title: Materials Data on CoBr2 by Materials Project

description: CoBr2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one CoBr2 sheet oriented in the (0, 0, 1) direction. Co2+ is bonded to six equivalent Br1- atoms to form edge-sharing CoBr6 octahedra. All Co–Br bond lengths are 2.59 Å. Br1- is bonded in a distorted T-shaped geometry to three equivalent Co2+ atoms.
DOI: 10.17188/1204466
title: Materials Data on MgBr2 by Materials Project

description: MgBr2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one MgBr2 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded to six equivalent Br1- atoms to form edge-sharing MgBr6 octahedra. All Mg–Br bond lengths are 2.70 Å. Br1- is bonded in a distorted T-shaped geometry to three equivalent Mg2+ atoms.
DOI: 10.17188/1204467
title: Materials Data on AgIO4 by Materials Project

description: AgIO4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ag3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.59 Å) and four longer (2.62 Å) Ag–O bond lengths. O2- is bonded in a 3-coordinate geometry to two equivalent Ag3+ and one I5+ atom. The O–I bond length is 1.82 Å. I5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms.
DOI: 10.17188/1204469
title: Materials Data on BaCdSb2 by Materials Project

description: BaCdSb2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.61 Å) and four longer (3.62 Å) Ba–Sb bond lengths. Cd2+ is bonded to four equivalent Sb2- atoms to form a mixture of corner and edge-sharing CdSb4 tetrahedra. All Cd–Sb bond lengths are 2.97 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Cd2+ atoms. In the second Sb2- site, Sb2- is bonded in a distorted body-centered cubic geometry to four equivalent Ba2+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.26 Å.