cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1276135
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 seven CdI2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six I1- atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms. In the second I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.
DOI: 10.17188/1276136
title: Materials Data on Cd2GeAs4 by Materials Project

description: Cd2GeAs4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cd2+ is bonded to four As2- atoms to form distorted CdAs4 tetrahedra that share corners with four equivalent GeAs4 tetrahedra, corners with six equivalent CdAs4 tetrahedra, and an edgeedge with one CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.72–2.77 Å. Ge4+ is bonded to four As2- atoms to form GeAs4 tetrahedra that share corners with two equivalent AsCd2GeAs tetrahedra and corners with eight equivalent CdAs4 tetrahedra. There are one shorter (2.47 Å) and three longer (2.50 Å) Ge–As bond lengths. There are three inequivalent As2- sites. In the first As2- site, As2- is bonded to four equivalent Cd2+ and one Ge4+ atom to form distorted AsCd4Ge trigonal bipyramids that share corners with ten equivalent AsCd2GeAs tetrahedra and edges with two equivalent AsCd4Ge trigonal bipyramids. In the second As2- site, As2- is bonded to two equivalent Cd2+, one Ge4+, and one As2- atom to form distorted AsCd2GeAs tetrahedra that share a cornercorner with one GeAs4 tetrahedra, corners with four equivalent AsCd2GeAs tetrahedra, and corners with five equivalent AsCd4Ge trigonal bipyramids. The As–As bond length is 2.48 Å. In the third As2- site, As2- is bonded in a 3-coordinate geometry to one Ge4+ and two equivalent As2- atoms.
DOI: 10.17188/1276137
title: Materials Data on Sr(CoAs)2 by Materials Project

description: Sr(CoAs)2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Sr–As bond lengths are 3.29 Å. Co2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing CoAs4 tetrahedra. All Co–As bond lengths are 2.34 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent Co2+ atoms.
DOI: 10.17188/1276138
title: Materials Data on Dy4MgRh by Materials Project

description: MgDy4Rh crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Dy atoms to form a mixture of face and corner-sharing MgDy9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.09 Å. There are a spread of Mg–Dy bond distances ranging from 3.31–3.54 Å. There are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to two equivalent Mg, ten Dy, and two equivalent Rh atoms. There are a spread of Dy–Dy bond distances ranging from 3.53–3.64 Å. Both Dy–Rh bond lengths are 3.52 Å. In the second Dy site, Dy is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Dy, and three equivalent Rh atoms. All Dy–Rh bond lengths are 2.82 Å. In the third Dy site, Dy is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Dy, and two equivalent Rh atoms. Both Dy–Rh bond lengths are 2.82 Å. Rh is bonded in a 6-coordinate geometry to nine Dy atoms.
DOI: 10.17188/1276139
title: Materials Data on Y3(B3Os4)2 by Materials Project

description: Y3Os8B6 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to twelve Os+1.88- atoms to form YOs12 cuboctahedra that share edges with six equivalent YOs12 cuboctahedra and faces with six equivalent BOs6 pentagonal pyramids. There are four shorter (3.10 Å) and eight longer (3.19 Å) Y–Os bond lengths. In the second Y3+ site, Y3+ is bonded in a 10-coordinate geometry to ten Os+1.88- atoms. There are a spread of Y–Os bond distances ranging from 3.03–3.28 Å. There are three inequivalent Os+1.88- sites. In the first Os+1.88- site, Os+1.88- is bonded in a 4-coordinate geometry to four Y3+ and four B1+ atoms. There are two shorter (2.21 Å) and two longer (2.24 Å) Os–B bond lengths. In the second Os+1.88- site, Os+1.88- is bonded in a distorted square co-planar geometry to four Y3+ and four B1+ atoms. There are two shorter (2.21 Å) and two longer (2.26 Å) Os–B bond lengths. In the third Os+1.88- site, Os+1.88- is bonded in a 4-coordinate geometry to four equivalent Y3+ and four equivalent B1+ atoms. All Os–B bond lengths are 2.14 Å. There are two inequivalent B1+ sites. In the first B1+ site, B1+ is bonded in a distorted pentagonal planar geometry to five Os+1.88- atoms. In the second B1+ site, B1+ is bonded to six Os+1.88- atoms to form distorted BOs6 pentagonal pyramids that share edges with three equivalent BOs6 pentagonal pyramids and faces with three equivalent YOs12 cuboctahedra.
DOI: 10.17188/1276140
title: Materials Data on YGaI by Materials Project

description: YI(Ga) crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one YI(Ga) sheet oriented in the (0, 0, 1) direction. Y is bonded to six equivalent Ga and three equivalent I atoms to form a mixture of distorted edge and face-sharing YGa6I3 octahedra. There are three shorter (2.95 Å) and three longer (3.39 Å) Y–Ga bond lengths. All Y–I bond lengths are 3.15 Å. Ga is bonded in a 6-coordinate geometry to six equivalent Y and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.53 Å. I is bonded in a distorted T-shaped geometry to three equivalent Y atoms.
DOI: 10.17188/1276141
title: Materials Data on V3Si by Materials Project

description: V3Si is High-temperature superconductor structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. V is bonded to four equivalent V and two equivalent Si atoms to form VV4Si2 octahedra that share corners with six equivalent VV4Si2 octahedra, edges with four equivalent SiV6 octahedra, and edges with eight equivalent VV4Si2 octahedra. The corner-sharing octahedral tilt angles are 0°. All V–V bond lengths are 2.46 Å. Both V–Si bond lengths are 2.46 Å. Si is bonded to six equivalent V atoms to form SiV6 octahedra that share corners with six equivalent SiV6 octahedra and edges with twelve equivalent VV4Si2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1276142
title: Materials Data on Yb5Ag3 by Materials Project

description: Yb5Ag3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to five Ag atoms to form a mixture of distorted edge, corner, and face-sharing YbAg5 trigonal bipyramids. There are a spread of Yb–Ag bond distances ranging from 3.11–3.32 Å. In the second Yb site, Yb is bonded in a distorted square co-planar geometry to six Ag atoms. There are four shorter (3.10 Å) and two longer (3.68 Å) Yb–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to ten Yb atoms. In the second Ag site, Ag is bonded in a 9-coordinate geometry to eight Yb and one Ag atom. The Ag–Ag bond length is 2.89 Å.
DOI: 10.17188/1276143
title: Materials Data on PNCl2 by Materials Project

description: PNCl2 crystallizes in the tetragonal P4_2/n space group. The structure is zero-dimensional and consists of two akos000271203 molecules. P5+ is bonded to two equivalent N3- and two Cl1- atoms to form corner-sharing PN2Cl2 tetrahedra. Both P–N bond lengths are 1.58 Å. Both P–Cl bond lengths are 2.02 Å. N3- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom.
DOI: 10.17188/1276144
title: Materials Data on Ca2Sb4Pd3 by Materials Project

description: Ca2Pd3Sb4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight Sb+2.50- atoms. There are four shorter (3.41 Å) and four longer (3.70 Å) Ca–Sb bond lengths. In the second Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight Sb+2.50- atoms. There are four shorter (3.28 Å) and four longer (3.48 Å) Ca–Sb bond lengths. There are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a 5-coordinate geometry to five Sb+2.50- atoms. There are one shorter (2.61 Å) and four longer (2.72 Å) Pd–Sb bond lengths. In the second Pd2+ site, Pd2+ is bonded to four equivalent Sb+2.50- atoms to form a mixture of edge and corner-sharing PdSb4 tetrahedra. All Pd–Sb bond lengths are 2.69 Å. In the third Pd2+ site, Pd2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Sb+2.50- atoms. All Pd–Sb bond lengths are 2.75 Å. There are three inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 4-coordinate geometry to four Ca2+, two equivalent Pd2+, and four equivalent Sb+2.50- atoms. All Sb–Sb bond lengths are 3.19 Å. In the second Sb+2.50- site, Sb+2.50- is bonded in a 9-coordinate geometry to four equivalent Ca2+ and five Pd2+ atoms. In the third Sb+2.50- site, Sb+2.50- is bonded in a 8-coordinate geometry to four equivalent Ca2+ and four equivalent Pd2+ atoms.
DOI: 10.17188/1276145
title: Materials Data on Sr3(AlGe2)2 by Materials Project

description: Sr3(AlGe2)2 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 9-coordinate geometry to two equivalent Al and seven Ge atoms. Both Sr–Al bond lengths are 3.30 Å. There are a spread of Sr–Ge bond distances ranging from 3.11–3.39 Å. In the second Sr site, Sr is bonded to six Ge atoms to form distorted edge-sharing SrGe6 octahedra. There are two shorter (3.29 Å) and four longer (3.32 Å) Sr–Ge bond lengths. Al is bonded in a 4-coordinate geometry to two equivalent Sr and four Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.55–2.70 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to five Sr, one Al, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.66 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to five Sr and three equivalent Al atoms.
DOI: 10.17188/1276146
title: Materials Data on La3SiPd5 by Materials Project

description: La3Pd5Si crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 11-coordinate geometry to ten Pd and one Si atom. There are a spread of La–Pd bond distances ranging from 3.02–3.35 Å. The La–Si bond length is 3.19 Å. In the second La site, La is bonded in a 4-coordinate geometry to ten Pd and one Si atom. There are a spread of La–Pd bond distances ranging from 3.00–3.52 Å. The La–Si bond length is 3.12 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 11-coordinate geometry to six La, four Pd, and one Si atom. There are a spread of Pd–Pd bond distances ranging from 2.99–3.07 Å. The Pd–Si bond length is 2.52 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to six La, four equivalent Pd, and two equivalent Si atoms. Both Pd–Si bond lengths are 2.49 Å. Si is bonded in a 9-coordinate geometry to three La and six Pd atoms.
DOI: 10.17188/1276147
title: Materials Data on Tl3BiI6 by Materials Project

description: Tl3BiI6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.49–4.24 Å. In the second Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Tl–I bond distances ranging from 3.54–4.19 Å. In the third Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.35–4.28 Å. Bi3+ is bonded in an octahedral geometry to six I1- atoms. There are a spread of Bi–I bond distances ranging from 3.04–3.20 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a 7-coordinate geometry to six Tl1+ and one Bi3+ atom. In the second I1- site, I1- is bonded in a 4-coordinate geometry to three Tl1+ and one Bi3+ atom. In the third I1- site, I1- is bonded in a distorted rectangular see-saw-like geometry to three Tl1+ and one Bi3+ atom. In the fourth I1- site, I1- is bonded in a 6-coordinate geometry to five Tl1+ and one Bi3+ atom. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to four Tl1+ and one Bi3+ atom. In the sixth I1- site, I1- is bonded in a 5-coordinate geometry to four Tl1+ and one Bi3+ atom.
DOI: 10.17188/1276148
title: Materials Data on CsBr by Materials Project

description: CsBr is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent Br1- atoms to form a mixture of edge and corner-sharing CsBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Br bond lengths are 3.70 Å. Br1- is bonded to six equivalent Cs1+ atoms to form a mixture of edge and corner-sharing BrCs6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1276149
title: Materials Data on Tb3(CuSn)4 by Materials Project

description: Tb3(CuSn)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to six equivalent Cu and six Sn atoms. There are four shorter (3.17 Å) and two longer (3.20 Å) Tb–Cu bond lengths. There are two shorter (3.17 Å) and four longer (3.28 Å) Tb–Sn bond lengths. In the second Tb site, Tb is bonded to six Sn atoms to form distorted edge-sharing TbSn6 octahedra. There are four shorter (3.05 Å) and two longer (3.19 Å) Tb–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Tb, one Cu, and four Sn atoms. The Cu–Cu bond length is 2.62 Å. There are a spread of Cu–Sn bond distances ranging from 2.63–2.74 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Tb, two equivalent Cu, and one Sn atom. The Sn–Sn bond length is 2.83 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to three Tb and six equivalent Cu atoms.
DOI: 10.17188/1276150
title: Materials Data on Nb5Sb4 by Materials Project

description: Nb5Sb4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Nb+2.40+ sites. In the first Nb+2.40+ site, Nb+2.40+ is bonded in a 5-coordinate geometry to five equivalent Sb3- atoms. There are a spread of Nb–Sb bond distances ranging from 2.89–3.09 Å. In the second Nb+2.40+ site, Nb+2.40+ is bonded in a body-centered cubic geometry to eight equivalent Sb3- atoms. All Nb–Sb bond lengths are 2.88 Å. Sb3- is bonded in a 7-coordinate geometry to seven Nb+2.40+ atoms.
DOI: 10.17188/1276151
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 seven 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: 10.17188/1276153
title: Materials Data on YbBr2 by Materials Project

description: YbBr2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent Br1- atoms to form a mixture of edge and corner-sharing YbBr6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are four shorter (2.90 Å) and two longer (2.92 Å) Yb–Br bond lengths. Br1- is bonded in a distorted trigonal planar geometry to three equivalent Yb2+ atoms.
DOI: 10.17188/1276154
title: Materials Data on TmTe by Materials Project

description: TmTe is Tetraauricupride structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Te atoms. There are four shorter (3.24 Å) and four longer (3.25 Å) Tm–Te bond lengths. Te is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1276155
title: Materials Data on ZrI4 by Materials Project

description: ZrI4 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of one ZrI4 ribbon oriented in the (0, 0, 1) direction. there are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded to six I1- atoms to form edge-sharing ZrI6 octahedra. There are a spread of Zr–I bond distances ranging from 2.73–3.09 Å. In the second Zr4+ site, Zr4+ is bonded to six I1- atoms to form edge-sharing ZrI6 octahedra. There are a spread of Zr–I bond distances ranging from 2.73–3.08 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Zr4+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Zr4+ atom. In the third I1- site, I1- is bonded in a water-like geometry to two equivalent Zr4+ atoms. In the fourth I1- site, I1- is bonded in a single-bond geometry to one Zr4+ atom. In the fifth I1- site, I1- is bonded in a water-like geometry to two Zr4+ atoms. In the sixth I1- site, I1- is bonded in a water-like geometry to two Zr4+ atoms.
DOI: 10.17188/1276156
title: Materials Data on KLa5(CCl5)2 by Materials Project

description: KLa5(CCl5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.12–3.64 Å. There are five inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to two C3- and six Cl1- atoms. There are one shorter (2.47 Å) and one longer (2.53 Å) La–C bond lengths. There are a spread of La–Cl bond distances ranging from 2.89–3.13 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to one C3- and seven Cl1- atoms. The La–C bond length is 2.36 Å. There are a spread of La–Cl bond distances ranging from 2.85–3.52 Å. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to two C3- and six Cl1- atoms. There are one shorter (2.49 Å) and one longer (2.51 Å) La–C bond lengths. There are a spread of La–Cl bond distances ranging from 2.87–3.14 Å. In the fourth La3+ site, La3+ is bonded in a 7-coordinate geometry to one C3- and six Cl1- atoms. The La–C bond length is 2.34 Å. There are a spread of La–Cl bond distances ranging from 2.86–3.25 Å. In the fifth La3+ site, La3+ is bonded in a 8-coordinate geometry to two C3- and six Cl1- atoms. There are one shorter (2.49 Å) and one longer (2.50 Å) La–C bond lengths. There are a spread of La–Cl bond distances ranging from 2.89–3.10 Å. There are two inequivalent C3- sites. In the first C3- site, C3- is bonded in a 5-coordinate geometry to four La3+ and one C3- atom. The C–C bond length is 1.48 Å. In the second C3- site, C3- is bonded in a 5-coordinate geometry to four La3+ and one C3- atom. There are ten inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to one K1+ and three La3+ atoms to form a mixture of distorted corner and edge-sharing ClKLa3 tetrahedra. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one K1+ and three La3+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted see-saw-like geometry to one K1+ and three La3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one K1+ and three La3+ atoms. In the fifth Cl1- site, Cl1- is bonded to one K1+ and three La3+ atoms to form a mixture of distorted corner and edge-sharing ClKLa3 tetrahedra. In the sixth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one K1+ and three La3+ atoms. In the seventh Cl1- site, Cl1- is bonded to one K1+ and three La3+ atoms to form a mixture of distorted corner and edge-sharing ClKLa3 tetrahedra. In the eighth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one K1+ and three La3+ atoms. In the ninth Cl1- site, Cl1- is bonded to four La3+ atoms to form a mixture of distorted corner and edge-sharing ClLa4 tetrahedra. In the tenth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one K1+ and three La3+ atoms.
DOI: 10.17188/1276157
title: Materials Data on Rb2CoCl4 by Materials Project

description: Rb2CoCl4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.35–3.95 Å. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to nine Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.32–3.99 Å. Co2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.25 Å) and one longer (2.27 Å) Co–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five Rb1+ and one Co2+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Rb1+ and one Co2+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Rb1+ and one Co2+ atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five Rb1+ and one Co2+ atom.