cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1278063
title: Materials Data on K3Fe(CN)6 by Materials Project

description: K3Fe(CN)6 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional and consists of four iron molecules and one K(CN)2 framework. In the K(CN)2 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.76–2.97 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.84–3.24 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the third C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to three K1+ and one C2+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three K1+ and one C2+ atom. In the third N3- site, N3- is bonded in a 1-coordinate geometry to three K1+ and one C2+ atom.
DOI: 10.17188/1278064
title: Materials Data on BaCdGaF7 by Materials Project

description: BaCdGaF7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Ba–F bond distances ranging from 2.69–3.20 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Cd–F bond distances ranging from 2.22–2.67 Å. In the second Cd2+ site, Cd2+ is bonded to six F1- atoms to form CdF6 octahedra that share corners with four equivalent GaF6 octahedra. The corner-sharing octahedra tilt angles range from 49–61°. There are a spread of Cd–F bond distances ranging from 2.20–2.35 Å. Ga3+ is bonded to six F1- atoms to form GaF6 octahedra that share corners with two equivalent CdF6 octahedra. The corner-sharing octahedra tilt angles range from 49–61°. There are a spread of Ga–F bond distances ranging from 1.90–1.97 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Ba2+ and two Cd2+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one Ba2+, one Cd2+, and one Ga3+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Ba2+, one Cd2+, and one Ga3+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Cd2+, and one Ga3+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one Ga3+ atom. In the sixth F1- site, F1- is bonded in a 3-coordinate geometry to one Ba2+, one Cd2+, and one Ga3+ atom. In the seventh F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one Cd2+, and one Ga3+ atom.
DOI: 10.17188/1278066
title: Materials Data on Na2TiSiO5 by Materials Project

description: Na2TiSiO5 crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.73–3.03 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with two equivalent NaO6 pentagonal pyramids, corners with four SiO4 tetrahedra, corners with two TiO5 trigonal bipyramids, and edges with two TiO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.39–2.67 Å. In the third Na1+ site, Na1+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.17–2.80 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to five O2- atoms to form distorted TiO5 trigonal bipyramids that share corners with two equivalent NaO6 pentagonal pyramids, corners with four SiO4 tetrahedra, and edges with two equivalent NaO6 pentagonal pyramids. There are a spread of Ti–O bond distances ranging from 1.72–2.00 Å. In the second Ti4+ site, Ti4+ is bonded to five O2- atoms to form distorted TiO5 trigonal bipyramids that share corners with two equivalent NaO6 pentagonal pyramids, corners with four SiO4 tetrahedra, and edges with two equivalent NaO6 pentagonal pyramids. There are a spread of Ti–O bond distances ranging from 1.72–1.99 Å. There are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent NaO6 pentagonal pyramids and corners with four equivalent TiO5 trigonal bipyramids. All Si–O bond lengths are 1.65 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent NaO6 pentagonal pyramids and corners with four TiO5 trigonal bipyramids. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. In the third Si4+ site, Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent NaO6 pentagonal pyramids and corners with four equivalent TiO5 trigonal bipyramids. All Si–O bond lengths are 1.64 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+, one Ti4+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Ti4+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+, one Ti4+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Ti4+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to four Na1+ and one Ti4+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to four Na1+ and one Ti4+ atom.
DOI: 10.17188/1278068
title: Materials Data on LiEu(SO4)2 by Materials Project

description: LiEu(SO4)2 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Li–O bond lengths are 1.92 Å. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.44 Å) and four longer (2.59 Å) Eu–O bond lengths. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.49 Å) and two longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Eu3+ and one S6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Eu3+, and one S6+ atom.
DOI: 10.17188/1278069
title: Materials Data on Cs2SrN12 by Materials Project

description: Cs2SrN12 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to sixteen N+0.33- atoms. There are a spread of Cs–N bond distances ranging from 3.19–3.59 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight N+0.33- atoms. There are a spread of Cs–N bond distances ranging from 3.17–3.39 Å. Sr2+ is bonded in a 8-coordinate geometry to eight N+0.33- atoms. There are a spread of Sr–N bond distances ranging from 2.67–2.91 Å. There are thirteen inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 2-coordinate geometry to two Cs1+, one Sr2+, and one N+0.33- atom. The N–N bond length is 1.19 Å. In the second N+0.33- site, N+0.33- is bonded in a 5-coordinate geometry to four Cs1+ and one N+0.33- atom. The N–N bond length is 1.18 Å. In the third N+0.33- site, N+0.33- is bonded in a trigonal planar geometry to two equivalent Sr2+ and one N+0.33- atom. The N–N bond length is 1.19 Å. In the fourth N+0.33- site, N+0.33- is bonded in a distorted linear geometry to two equivalent Cs1+ and two N+0.33- atoms. In the fifth N+0.33- site, N+0.33- is bonded in a 2-coordinate geometry to three Cs1+, one Sr2+, and one N+0.33- atom. The N–N bond length is 1.19 Å. In the sixth N+0.33- site, N+0.33- is bonded in a distorted square co-planar geometry to two equivalent Cs1+ and two N+0.33- atoms. Both N–N bond lengths are 1.19 Å. In the seventh N+0.33- site, N+0.33- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cs1+ and two equivalent N+0.33- atoms. In the eighth N+0.33- site, N+0.33- is bonded in a 5-coordinate geometry to four Cs1+ and one N+0.33- atom. In the ninth N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to one Cs1+, two equivalent Sr2+, 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 linear geometry to one Cs1+ and two N+0.33- atoms. The N–N bond length is 1.18 Å. In the eleventh N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one N+0.33- atom. In the twelfth N+0.33- site, N+0.33- is bonded in a 4-coordinate geometry to three Cs1+ and one N+0.33- atom. In the thirteenth N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent Cs1+ and two equivalent N+0.33- atoms.
DOI: 10.17188/1278070
title: Materials Data on K(Zr3I7)2 by Materials Project

description: K(Zr3I7)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. K1+ is bonded in an octahedral geometry to six Zr+2.17+ atoms. There are two shorter (2.82 Å) and four longer (2.88 Å) K–Zr bond lengths. There are two inequivalent Zr+2.17+ sites. In the first Zr+2.17+ site, Zr+2.17+ is bonded to one K1+ and five I1- atoms to form a mixture of corner and edge-sharing ZrKI5 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. There are a spread of Zr–I bond distances ranging from 2.91–3.05 Å. In the second Zr+2.17+ site, Zr+2.17+ is bonded to one K1+ and five I1- atoms to form a mixture of corner and edge-sharing ZrKI5 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. There are a spread of Zr–I bond distances ranging from 2.93–3.13 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted bent 120 degrees geometry to two equivalent Zr+2.17+ atoms. In the second I1- site, I1- is bonded in a distorted T-shaped geometry to three Zr+2.17+ atoms. In the third I1- site, I1- is bonded in an L-shaped geometry to two Zr+2.17+ atoms. In the fourth I1- site, I1- is bonded in an L-shaped geometry to two equivalent Zr+2.17+ atoms. In the fifth I1- site, I1- is bonded in an L-shaped geometry to two Zr+2.17+ atoms.
DOI: 10.17188/1278071
title: Materials Data on Cs3Cr2I9 by Materials Project

description: Cs3Cr2I9 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to nine equivalent I1- atoms to form distorted CsI9 cuboctahedra that share corners with nine CsI9 cuboctahedra, edges with three equivalent CsI12 cuboctahedra, edges with three equivalent CrI6 octahedra, faces with three equivalent CsI9 cuboctahedra, and a faceface with one CrI6 octahedra. There are three shorter (4.07 Å) and six longer (4.17 Å) Cs–I bond lengths. In the second Cs1+ site, Cs1+ is bonded to twelve I1- atoms to form CsI12 cuboctahedra that share corners with twelve CsI9 cuboctahedra, edges with six equivalent CsI9 cuboctahedra, and faces with six equivalent CrI6 octahedra. There are six shorter (4.14 Å) and six longer (4.15 Å) Cs–I bond lengths. Cr3+ is bonded to six I1- atoms to form CrI6 octahedra that share edges with three equivalent CsI9 cuboctahedra, faces with four CsI9 cuboctahedra, and a faceface with one CrI6 octahedra. There are three shorter (2.71 Å) and three longer (2.82 Å) Cr–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to four Cs1+ and one Cr3+ atom. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Cs1+ and two equivalent Cr3+ atoms.
DOI: 10.17188/1278072
title: Materials Data on Re2C3I4O3 by Materials Project

description: Re2COI4(CO)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of sixteen formaldehyde molecules and two Re2COI4 ribbons oriented in the (0, 0, 1) direction. In each Re2COI4 ribbon, there are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a distorted square co-planar geometry to four I1- atoms. There are a spread of Re–I bond distances ranging from 2.68–2.76 Å. In the second Re3+ site, Re3+ is bonded in a 3-coordinate geometry to three I1- atoms. There are a spread of Re–I bond distances ranging from 2.84–2.87 Å. C+1.33+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.17 Å. O2- is bonded in a single-bond geometry to one C+1.33+ and two I1- atoms. There are one shorter (3.54 Å) and one longer (3.60 Å) O–I bond lengths. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to two Re3+ and one O2- atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to one Re3+ atom. In the third I1- site, I1- is bonded in an L-shaped geometry to two Re3+ atoms. In the fourth I1- site, I1- is bonded in a 2-coordinate geometry to two Re3+ and one O2- atom.
DOI: 10.17188/1278073
title: Materials Data on Os3C12(IO6)2 by Materials Project

description: Os(CO)4(OsC4O4I)2 is Cyanogen Chloride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Os(CO)4 clusters and four OsC4O4I clusters. In each Os(CO)4 cluster, Os2- is bonded in a square co-planar geometry to four C+2.67+ atoms. There is two shorter (1.95 Å) and two longer (1.96 Å) Os–C bond length. There are two inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In each OsC4O4I cluster, Os2- is bonded in a 4-coordinate geometry to four C+2.67+ and one I1- atom. There are a spread of Os–C bond distances ranging from 1.91–1.97 Å. The Os–I bond length is 2.82 Å. There are four inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.15 Å. In the third C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. I1- is bonded in a 1-coordinate geometry to one Os2- atom.
DOI: 10.17188/1278074
title: Materials Data on La2Ge2O7 by Materials Project

description: La2Ge2O7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.46–2.78 Å. In the second La3+ site, La3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.36–3.00 Å. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.72 Å. In the fourth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.99 Å. There are four inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.75–1.84 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.73–1.81 Å. In the third Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.75–1.85 Å. In the fourth Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.76–1.81 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one La3+ and two Ge4+ atoms. In the fifth O2- site, O2- is bonded in a distorted tetrahedral geometry to three La3+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one La3+ and two Ge4+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one Ge4+ atom. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one Ge4+ atom. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Ge4+ atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Ge4+ atom. In the thirteenth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Ge4+ atom. In the fourteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one Ge4+ atom.
DOI: 10.17188/1278075
title: Materials Data on ReC4IO4 by Materials Project

description: ReI(CO)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of thirty-two formaldehyde molecules and four ReI clusters. In each ReI cluster, there are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.87 Å) and one longer (2.88 Å) Re–I bond lengths. In the second Re3+ site, Re3+ is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.86 Å) and one longer (2.87 Å) Re–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two Re3+ atoms. In the second I1- site, I1- is bonded in a distorted water-like geometry to two Re3+ atoms.
DOI: 10.17188/1278076
title: Materials Data on Sb4Pb4S11 by Materials Project

description: Pb4Sb4S11 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.85–3.51 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.86–3.47 Å. There are two inequivalent Sb+3.50+ sites. In the first Sb+3.50+ site, Sb+3.50+ is bonded to five S2- atoms to form a mixture of corner and edge-sharing SbS5 square pyramids. There are a spread of Sb–S bond distances ranging from 2.45–2.87 Å. In the second Sb+3.50+ site, Sb+3.50+ is bonded to five S2- atoms to form a mixture of corner and edge-sharing SbS5 square pyramids. There are a spread of Sb–S bond distances ranging from 2.47–2.98 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two Pb2+ and two equivalent Sb+3.50+ atoms. In the second S2- site, S2- is bonded to one Pb2+ and four Sb+3.50+ atoms to form edge-sharing SSb4Pb square pyramids. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four Pb2+ and one Sb+3.50+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to four Pb2+ and one Sb+3.50+ atom. In the fifth S2- site, S2- is bonded in a distorted water-like geometry to two Pb2+ and two equivalent Sb+3.50+ atoms. In the sixth S2- site, S2- is bonded in a square co-planar geometry to four equivalent Pb2+ atoms.
DOI: 10.17188/1278077
title: Materials Data on K2RbBiSe3 by Materials Project

description: RbK2BiSe3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Se2- atoms to form RbSe6 octahedra that share corners with six equivalent RbSe6 octahedra, corners with six KSe6 octahedra, edges with six KSe6 octahedra, and faces with two KSe6 octahedra. The corner-sharing octahedra tilt angles range from 37–58°. There are three shorter (3.61 Å) and three longer (3.66 Å) Rb–Se bond lengths. There are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six equivalent Se2- atoms to form distorted KSe6 octahedra that share corners with three equivalent RbSe6 octahedra, corners with nine KSe6 octahedra, edges with three equivalent RbSe6 octahedra, a faceface with one RbSe6 octahedra, and faces with three equivalent KSe6 octahedra. The corner-sharing octahedra tilt angles range from 28–45°. There are three shorter (3.36 Å) and three longer (3.54 Å) K–Se bond lengths. In the second K1+ site, K1+ is bonded to six equivalent Se2- atoms to form distorted KSe6 octahedra that share corners with three equivalent RbSe6 octahedra, corners with nine KSe6 octahedra, edges with three equivalent RbSe6 octahedra, a faceface with one RbSe6 octahedra, and faces with three equivalent KSe6 octahedra. The corner-sharing octahedra tilt angles range from 28–43°. There are three shorter (3.37 Å) and three longer (3.53 Å) K–Se bond lengths. Bi3+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All Bi–Se bond lengths are 2.70 Å. Se2- is bonded to two equivalent Rb1+, four K1+, and one Bi3+ atom to form a mixture of distorted face, edge, and corner-sharing SeK4Rb2Bi pentagonal bipyramids.