cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1275042
title: Materials Data on NdMn2 by Materials Project

description: NdMn2 is Hexagonal Laves structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to four Nd and twelve Mn atoms. There are a spread of Nd–Nd bond distances ranging from 3.20–3.31 Å. There are a spread of Nd–Mn bond distances ranging from 3.03–3.20 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to four Nd and twelve Mn atoms. There are one shorter (3.28 Å) and two longer (3.31 Å) Nd–Nd bond lengths. There are a spread of Nd–Mn bond distances ranging from 3.04–3.20 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Nd and six Mn atoms to form a mixture of edge, face, and corner-sharing MnNd6Mn6 cuboctahedra. There are two shorter (2.55 Å) and four longer (2.58 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded to six equivalent Nd and six Mn atoms to form a mixture of edge, face, and corner-sharing MnNd6Mn6 cuboctahedra. There are two shorter (2.57 Å) and four longer (2.59 Å) Mn–Mn bond lengths. In the third Mn site, Mn is bonded to six Nd and six Mn atoms to form a mixture of edge, face, and corner-sharing MnNd6Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.62–2.85 Å. In the fourth Mn site, Mn is bonded to six Nd and six Mn atoms to form a mixture of edge, face, and corner-sharing MnNd6Mn6 cuboctahedra.
DOI: 10.17188/1275043
title: Materials Data on Sm2C3 by Materials Project

description: Sm2C3 is Plutonium carbide structured and crystallizes in the cubic I-43d space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine equivalent C2- atoms. There are a spread of Sm–C bond distances ranging from 2.59–2.90 Å. C2- is bonded to six equivalent Sm3+ and one C2- atom to form a mixture of distorted edge, face, and corner-sharing CSm6C trigonal bipyramids. The C–C bond length is 1.33 Å.
DOI: 10.17188/1275045
title: Materials Data on YbAlPd by Materials Project

description: YbPdAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 5-coordinate geometry to five equivalent Pd and six equivalent Al atoms. There are a spread of Yb–Pd bond distances ranging from 2.97–3.11 Å. There are a spread of Yb–Al bond distances ranging from 3.17–3.36 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Yb and four equivalent Al atoms. There are a spread of Pd–Al bond distances ranging from 2.61–2.71 Å. Al is bonded to six equivalent Yb and four equivalent Pd atoms to form a mixture of distorted edge, corner, and face-sharing AlYb6Pd4 tetrahedra.
DOI: 10.17188/1275046
title: Materials Data on Cu10Sn3 by Materials Project

description: Cu10Sn3 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. there are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a 5-coordinate geometry to three Cu and two equivalent Sn atoms. There are one shorter (2.48 Å) and two longer (2.49 Å) Cu–Cu bond lengths. Both Cu–Sn bond lengths are 2.65 Å. In the second Cu site, Cu is bonded in a 6-coordinate geometry to six Cu atoms. All Cu–Cu bond lengths are 2.47 Å. In the third Cu site, Cu is bonded in a 5-coordinate geometry to three Cu and four Sn atoms. Both Cu–Cu bond lengths are 2.48 Å. There are two shorter (2.62 Å) and two longer (3.21 Å) Cu–Sn bond lengths. In the fourth Cu site, Cu is bonded in a 6-coordinate geometry to four Cu and two equivalent Sn atoms. Both Cu–Cu bond lengths are 2.54 Å. Both Cu–Sn bond lengths are 2.78 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to six Cu and one Sn atom. The Sn–Sn bond length is 2.93 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to twelve Cu and two equivalent Sn atoms.
DOI: 10.17188/1275047
title: Materials Data on Rb2ZnN12 by Materials Project

description: Rb2ZnN12 crystallizes in the orthorhombic Pca2_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 eight N+0.33- atoms. There are a spread of Rb–N bond distances ranging from 2.97–3.34 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine N+0.33- atoms. There are a spread of Rb–N bond distances ranging from 3.02–3.47 Å. Zn2+ is bonded in a distorted tetrahedral geometry to five N+0.33- atoms. There are a spread of Zn–N bond distances ranging from 2.01–2.82 Å. There are twelve inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Zn2+, and one N+0.33- atom. The N–N bond length is 1.17 Å. In the second N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Zn2+, and one N+0.33- atom. The N–N bond length is 1.20 Å. In the third N+0.33- site, N+0.33- is bonded in a 4-coordinate geometry to three Rb1+ and one N+0.33- atom. The N–N bond length is 1.17 Å. In the fourth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. There is one shorter (1.17 Å) and one longer (1.21 Å) N–N bond length. In the fifth N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Zn2+, and one N+0.33- atom. The N–N bond length is 1.21 Å. In the sixth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.17 Å. In the seventh N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and one N+0.33- atom. In the eighth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. In the ninth N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to one Rb1+, one Zn2+, and one N+0.33- atom. The N–N bond length is 1.20 Å. In the tenth N+0.33- site, N+0.33- is bonded in a distorted linear geometry to two N+0.33- atoms. In the eleventh N+0.33- site, N+0.33- is bonded in a 4-coordinate geometry to three Rb1+ and one N+0.33- atom. In the twelfth N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to two Rb1+, one Zn2+, and one N+0.33- atom.
DOI: 10.17188/1275048
title: Materials Data on NdBPt2 by Materials Project

description: NdPt2B crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Nd3+ is bonded to eight equivalent Pt and four equivalent B3- atoms to form a mixture of face, edge, and corner-sharing NdB4Pt8 cuboctahedra. There are four shorter (3.10 Å) and four longer (3.15 Å) Nd–Pt bond lengths. All Nd–B bond lengths are 3.05 Å. Pt is bonded in a distorted bent 120 degrees geometry to four equivalent Nd3+ and two equivalent B3- atoms. Both Pt–B bond lengths are 2.12 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Nd3+ and four equivalent Pt atoms.
DOI: 10.17188/1275049
title: Materials Data on RbH3WO7 (SG:2) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1275050
title: Materials Data on Tb4Mg3Co2 by Materials Project

description: Tb4Mg3Co2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to one Mg, eight Tb, and one Co atom. The Mg–Mg bond length is 3.13 Å. There are a spread of Mg–Tb bond distances ranging from 3.29–3.54 Å. The Mg–Co bond length is 3.08 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to eight Tb and two equivalent Co atoms. There are four shorter (3.18 Å) and four longer (3.40 Å) Mg–Tb bond lengths. Both Mg–Co bond lengths are 3.03 Å. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 4-coordinate geometry to six Mg and four equivalent Co atoms. There are two shorter (2.85 Å) and two longer (2.92 Å) Tb–Co bond lengths. In the second Tb site, Tb is bonded in a distorted L-shaped geometry to six Mg and two equivalent Co atoms. Both Tb–Co bond lengths are 2.68 Å. Co is bonded in a 9-coordinate geometry to two Mg, six Tb, and one Co atom. The Co–Co bond length is 2.32 Å.
DOI: 10.17188/1275051
title: Materials Data on Zr(CoSi)2 by Materials Project

description: ZrCo2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Zr–Si bond lengths are 2.90 Å. Co2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.25 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Zr4+, four equivalent Co2+, and one Si4- atom. The Si–Si bond length is 2.36 Å.
DOI: 10.17188/1275052
title: Materials Data on CuI by Materials Project

description: CuI is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent I1- atoms to form corner-sharing CuI4 tetrahedra. There are three shorter (2.61 Å) and one longer (2.62 Å) Cu–I bond lengths. I1- is bonded to four equivalent Cu1+ atoms to form corner-sharing ICu4 tetrahedra.
DOI: 10.17188/1275053
title: Materials Data on Nd5Sn4 by Materials Project

description: Nd5Sn4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.14–3.37 Å. In the second Nd site, Nd is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.27–3.83 Å. In the third Nd site, Nd is bonded to six Sn atoms to form corner-sharing NdSn6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There are a spread of Nd–Sn bond distances ranging from 3.21–3.39 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to eight Nd and one Sn atom. The Sn–Sn bond length is 3.05 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to eight Nd atoms. In the third Sn site, Sn is bonded in a 9-coordinate geometry to eight Nd and one Sn atom.
DOI: 10.17188/1275054
title: Materials Data on TlGaBr4 by Materials Project

description: TlGaBr4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of Tl–Br bond distances ranging from 3.51–3.91 Å. In the second Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of Tl–Br bond distances ranging from 3.40–3.71 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are one shorter (2.36 Å) and three longer (2.37 Å) Ga–Br bond lengths. In the second Ga3+ site, Ga3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Ga–Br bond distances ranging from 2.36–2.39 Å. There are eight inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to three Tl1+ and one Ga3+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one Tl1+ and one Ga3+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to two Tl1+ and one Ga3+ atom. In the fourth Br1- site, Br1- is bonded in a distorted single-bond geometry to two Tl1+ and one Ga3+ atom. In the fifth Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one Ga3+ atom. In the sixth Br1- site, Br1- is bonded in a distorted single-bond geometry to two Tl1+ and one Ga3+ atom. In the seventh Br1- site, Br1- is bonded in a distorted single-bond geometry to two Tl1+ and one Ga3+ atom. In the eighth Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one Ga3+ atom.
DOI: 10.17188/1275055
title: Materials Data on Rb2HgPSe5 by Materials Project

description: Rb2HgPSe5 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten Se+1.80- atoms. There are a spread of Rb–Se bond distances ranging from 3.58–3.94 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Se+1.80- atoms. There are a spread of Rb–Se bond distances ranging from 3.56–3.92 Å. Hg2+ is bonded to four Se+1.80- atoms to form distorted HgSe4 tetrahedra that share corners with two equivalent HgSe4 tetrahedra and corners with two equivalent PSe4 tetrahedra. There are a spread of Hg–Se bond distances ranging from 2.70–2.77 Å. P5+ is bonded to four Se+1.80- atoms to form PSe4 tetrahedra that share corners with two equivalent HgSe4 tetrahedra. There are a spread of P–Se bond distances ranging from 2.20–2.27 Å. There are five inequivalent Se+1.80- sites. In the first Se+1.80- site, Se+1.80- is bonded in a 2-coordinate geometry to three Rb1+, one Hg2+, and one P5+ atom. In the second Se+1.80- site, Se+1.80- is bonded in a 6-coordinate geometry to four Rb1+, one Hg2+, and one P5+ atom. In the third Se+1.80- site, Se+1.80- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent Hg2+ atoms. In the fourth Se+1.80- site, Se+1.80- is bonded in a 1-coordinate geometry to four Rb1+ and one P5+ atom. In the fifth Se+1.80- site, Se+1.80- is bonded in a 1-coordinate geometry to four Rb1+ and one P5+ atom.
DOI: 10.17188/1275056
title: Materials Data on La5Sn3Br by Materials Project

description: La5Sn3Br crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to five equivalent Sn and two equivalent Br atoms. There are a spread of La–Sn bond distances ranging from 3.33–3.69 Å. Both La–Br bond lengths are 3.14 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All La–Sn bond lengths are 3.49 Å. Sn is bonded in a 9-coordinate geometry to nine La atoms. Br is bonded to six equivalent La atoms to form face-sharing BrLa6 octahedra.
DOI: 10.17188/1275057
title: Materials Data on NdTl3 by Materials Project

description: NdTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Tl atoms to form NdTl12 cuboctahedra that share corners with twelve equivalent NdTl12 cuboctahedra, edges with twenty-four equivalent TlNd4Tl8 cuboctahedra, faces with six equivalent NdTl12 cuboctahedra, and faces with twelve equivalent TlNd4Tl8 cuboctahedra. All Nd–Tl bond lengths are 3.42 Å. Tl is bonded to four equivalent Nd and eight equivalent Tl atoms to form distorted TlNd4Tl8 cuboctahedra that share corners with twelve equivalent TlNd4Tl8 cuboctahedra, edges with eight equivalent NdTl12 cuboctahedra, edges with sixteen equivalent TlNd4Tl8 cuboctahedra, faces with four equivalent NdTl12 cuboctahedra, and faces with fourteen equivalent TlNd4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.42 Å.
DOI: 10.17188/1275058
title: Materials Data on Bi by Materials Project

description: Bi crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of one Bi sheet oriented in the (0, 1, 0) direction. Bi is bonded in a distorted square co-planar geometry to four equivalent Bi atoms. There are two shorter (3.08 Å) and two longer (3.23 Å) Bi–Bi bond lengths.
DOI: 10.17188/1275059
title: Materials Data on Hg by Materials Project

description: Hg is alpha Samarium structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of six mercury molecules. Hg is bonded in a 5-coordinate geometry to atoms.
DOI: 10.17188/1275060
title: Materials Data on Be22Re by Materials Project

description: Be22Re crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are four inequivalent Be sites. In the first Be site, Be is bonded to twelve Be atoms to form a mixture of distorted face, edge, and corner-sharing BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.04–2.27 Å. In the second Be site, Be is bonded to eleven Be and one Re atom to form BeBe11Re cuboctahedra that share corners with twenty-three BeBe12 cuboctahedra, edges with five BeBe11Re cuboctahedra, and faces with twenty-three BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.13–2.45 Å. The Be–Re bond length is 2.53 Å. In the third Be site, Be is bonded to twelve Be atoms to form a mixture of face, edge, and corner-sharing BeBe12 cuboctahedra. In the fourth Be site, Be is bonded in a 2-coordinate geometry to twelve equivalent Be and two equivalent Re atoms. Both Be–Re bond lengths are 2.49 Å. Re is bonded in a 4-coordinate geometry to sixteen Be atoms.
DOI: 10.17188/1275061
title: Materials Data on Nb3Tl by Materials Project

description: Nb3Tl crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Nb is bonded in a 6-coordinate geometry to ten equivalent Nb and four equivalent Tl atoms. There are two shorter (2.68 Å) and eight longer (3.28 Å) Nb–Nb bond lengths. All Nb–Tl bond lengths are 3.00 Å. Tl is bonded to twelve equivalent Nb atoms to form a mixture of face and edge-sharing TlNb12 cuboctahedra.
DOI: 10.17188/1275062
title: Materials Data on Li8Zn2Ge3 by Materials Project

description: Li8Zn2Ge3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded in a 11-coordinate geometry to seven Li, one Zn, and three equivalent Ge atoms. There are a spread of Li–Li bond distances ranging from 2.49–2.84 Å. The Li–Zn bond length is 2.78 Å. All Li–Ge bond lengths are 2.82 Å. In the second Li site, Li is bonded in a 12-coordinate geometry to six Li, two Zn, and four equivalent Ge atoms. There are a spread of Li–Li bond distances ranging from 2.64–3.05 Å. There are one shorter (2.74 Å) and one longer (2.88 Å) Li–Zn bond lengths. There are a spread of Li–Ge bond distances ranging from 2.73–2.91 Å. In the third Li site, Li is bonded in a 12-coordinate geometry to six Li, two Zn, and four equivalent Ge atoms. The Li–Li bond length is 2.95 Å. There are one shorter (2.74 Å) and one longer (2.79 Å) Li–Zn bond lengths. There are a spread of Li–Ge bond distances ranging from 2.75–2.88 Å. In the fourth Li site, Li is bonded in a 3-coordinate geometry to seven Li, one Zn, and three equivalent Ge atoms. The Li–Zn bond length is 2.98 Å. All Li–Ge bond lengths are 2.69 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to seven Li and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.55 Å. In the second Zn site, Zn is bonded in a 10-coordinate geometry to seven Li and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.56 Å. Ge is bonded to ten Li and two Zn atoms to form a mixture of edge and face-sharing GeLi10Zn2 cuboctahedra.
DOI: 10.5281/zenodo.4346723
title: Wildlife and Environment Gaps in Pandemic Prevention and Preparedness

description: Supplemental Materials for "Gaps in health security related to wildlife and environment affecting pandemic prevention and preparedness"
DOI: 10.17188/1275063
title: Materials Data on Na2VPO6 (SG:14) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1275064
title: Materials Data on FeB2 by Materials Project

description: FeB2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Fe is bonded to twelve equivalent B atoms to form a mixture of edge and face-sharing FeB12 cuboctahedra. All Fe–B bond lengths are 2.22 Å. B is bonded in a 9-coordinate geometry to six equivalent Fe and three equivalent B atoms. All B–B bond lengths are 1.74 Å.
DOI: 10.5281/zenodo.4346722
title: Wildlife and Environment Gaps in Pandemic Prevention and Preparedness

description: Supplemental Materials for "Gaps in health security related to wildlife and environment affecting pandemic prevention and preparedness"
DOI: 10.17188/1275065
title: Materials Data on Rb3Ta2AgSe12 by Materials Project

description: Rb3Ta2AgSe12 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Rb–Se bond distances ranging from 3.50–3.80 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Rb–Se bond distances ranging from 3.52–3.98 Å. In the third Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Se+1.33- atoms. There are a spread of Rb–Se bond distances ranging from 3.60–4.01 Å. There are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded to seven Se+1.33- atoms to form distorted TaSe7 pentagonal bipyramids that share an edgeedge with one AgSe4 trigonal pyramid. There are a spread of Ta–Se bond distances ranging from 2.47–2.86 Å. In the second Ta5+ site, Ta5+ is bonded in a 7-coordinate geometry to seven Se+1.33- atoms. There are a spread of Ta–Se bond distances ranging from 2.45–2.96 Å. Ag3+ is bonded to four Se+1.33- atoms to form distorted AgSe4 trigonal pyramids that share an edgeedge with one TaSe7 pentagonal bipyramid. There are a spread of Ag–Se bond distances ranging from 2.57–2.79 Å. There are twelve inequivalent Se+1.33- sites. In the first Se+1.33- site, Se+1.33- is bonded in a 1-coordinate geometry to two Rb1+, one Ta5+, and one Se+1.33- atom. The Se–Se bond length is 2.45 Å. In the second Se+1.33- site, Se+1.33- is bonded in a 5-coordinate geometry to three Rb1+, one Ta5+, and one Ag3+ atom. In the third Se+1.33- site, Se+1.33- is bonded in a 3-coordinate geometry to one Rb1+ and two Se+1.33- atoms. There are one shorter (2.43 Å) and one longer (2.50 Å) Se–Se bond lengths. In the fourth Se+1.33- site, Se+1.33- is bonded in a 2-coordinate geometry to four Rb1+, one Ta5+, and one Ag3+ atom. In the fifth Se+1.33- site, Se+1.33- is bonded in a 1-coordinate geometry to two Rb1+, one Ta5+, one Ag3+, and one Se+1.33- atom. In the sixth Se+1.33- site, Se+1.33- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and one Ta5+ atom. In the seventh Se+1.33- site, Se+1.33- is bonded in a 6-coordinate geometry to two Rb1+, one Ta5+, one Ag3+, and two Se+1.33- atoms. The Se–Se bond length is 2.86 Å. In the eighth Se+1.33- site, Se+1.33- is bonded in a 1-coordinate geometry to one Rb1+, two Ta5+, and one Se+1.33- atom. The Se–Se bond length is 2.43 Å. In the ninth Se+1.33- site, Se+1.33- is bonded in a 1-coordinate geometry to two Rb1+, one Ta5+, and one Se+1.33- atom. In the tenth Se+1.33- site, Se+1.33- is bonded in a 1-coordinate geometry to three Rb1+, one Ta5+, and one Se+1.33- atom. In the eleventh Se+1.33- site, Se+1.33- is bonded in a 3-coordinate geometry to two Rb1+, two Ta5+, and one Se+1.33- atom. In the twelfth Se+1.33- site, Se+1.33- is bonded in a distorted L-shaped geometry to one Rb1+ and two Ta5+ atoms.