cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1312693
title: Materials Data on Cs2ZrO3 by Materials Project

description: Cs2ZrO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.09–3.55 Å. Zr4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (1.94 Å) and four longer (2.13 Å) Zr–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to six equivalent Cs1+ and one Zr4+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to four equivalent Cs1+ and two equivalent Zr4+ atoms.
DOI: 10.17188/1312694
title: Materials Data on Dy5P12Ru19 by Materials Project

description: Dy5Ru19P12 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to nine Ru and six equivalent P atoms. There are six shorter (3.13 Å) and three longer (3.15 Å) Dy–Ru bond lengths. All Dy–P bond lengths are 2.98 Å. In the second Dy site, Dy is bonded in a 2-coordinate geometry to ten Ru and six P atoms. There are a spread of Dy–Ru bond distances ranging from 3.05–3.37 Å. There are four shorter (3.05 Å) and two longer (3.10 Å) Dy–P bond lengths. There are five inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to three Dy, five Ru, and four P atoms. There are a spread of Ru–Ru bond distances ranging from 2.82–2.85 Å. There are a spread of Ru–P bond distances ranging from 2.37–2.41 Å. In the second Ru site, Ru is bonded in a 12-coordinate geometry to three Dy, five Ru, and four P atoms. There are one shorter (2.74 Å) and two longer (2.88 Å) Ru–Ru bond lengths. There are a spread of Ru–P bond distances ranging from 2.30–2.52 Å. In the third Ru site, Ru is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent P atoms. All Ru–P bond lengths are 2.31 Å. In the fourth Ru site, Ru is bonded in a 12-coordinate geometry to two equivalent Dy, four equivalent Ru, and four P atoms. There are two shorter (2.31 Å) and two longer (2.34 Å) Ru–P bond lengths. In the fifth Ru site, Ru is bonded in a distorted single-bond geometry to six Ru and five P atoms. There are one shorter (2.28 Å) and four longer (2.81 Å) Ru–P bond lengths. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Dy and seven Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Dy and seven Ru atoms. In the third P site, P is bonded in a 9-coordinate geometry to four equivalent Dy and five Ru atoms.
DOI: 10.17188/1312695
title: Materials Data on NdCoC2 by Materials Project

description: NdCoC2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight C+2.50- atoms. There are a spread of Nd–C bond distances ranging from 2.72–2.77 Å. Co2+ is bonded in a 4-coordinate geometry to four C+2.50- atoms. There are a spread of Co–C bond distances ranging from 1.94–2.01 Å. There are two inequivalent C+2.50- sites. In the first C+2.50- site, C+2.50- is bonded in a 7-coordinate geometry to four equivalent Nd3+, two equivalent Co2+, and one C+2.50- atom. The C–C bond length is 1.38 Å. In the second C+2.50- site, C+2.50- is bonded in a 7-coordinate geometry to four equivalent Nd3+, two equivalent Co2+, and one C+2.50- atom.
DOI: 10.17188/1312696
title: Materials Data on Er2S2O by Materials Project

description: Er2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Er–S bond distances ranging from 2.72–2.93 Å. The Er–O bond length is 2.23 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to three S2- and three equivalent O2- atoms. There are a spread of Er–S bond distances ranging from 2.76–2.93 Å. There are two shorter (2.24 Å) and one longer (2.27 Å) Er–O bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Er3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four Er3+ atoms. O2- is bonded to four Er3+ atoms to form a mixture of edge and corner-sharing OEr4 tetrahedra.
DOI: 10.17188/1312697
title: Materials Data on Tm2S2O by Materials Project

description: Tm2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Tm–S bond distances ranging from 2.70–2.93 Å. The Tm–O bond length is 2.22 Å. In the second Tm3+ site, Tm3+ is bonded in a 7-coordinate geometry to three S2- and three equivalent O2- atoms. There are a spread of Tm–S bond distances ranging from 2.74–2.92 Å. There are a spread of Tm–O bond distances ranging from 2.22–2.26 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Tm3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four Tm3+ atoms. O2- is bonded to four Tm3+ atoms to form a mixture of corner and edge-sharing OTm4 tetrahedra.
DOI: 10.17188/1312698
title: Materials Data on Na2CoS2 by Materials Project

description: Na2CoS2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five equivalent S2- atoms. There are a spread of Na–S bond distances ranging from 2.84–3.02 Å. Co2+ is bonded to four equivalent S2- atoms to form edge-sharing CoS4 tetrahedra. All Co–S bond lengths are 2.29 Å. S2- is bonded in a 7-coordinate geometry to five equivalent Na1+ and two equivalent Co2+ atoms.
DOI: 10.17188/1312699
title: Materials Data on Rb2CoS2 by Materials Project

description: Rb2CoS2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. There are a spread of Rb–S bond distances ranging from 3.33–3.64 Å. Co2+ is bonded to four equivalent S2- atoms to form edge-sharing CoS4 tetrahedra. All Co–S bond lengths are 2.32 Å. S2- is bonded in a 2-coordinate geometry to six equivalent Rb1+ and two equivalent Co2+ atoms.
DOI: 10.17188/1312700
title: Materials Data on K2CoSe2 by Materials Project

description: K2CoSe2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are a spread of K–Se bond distances ranging from 3.32–3.65 Å. Co2+ is bonded to four equivalent Se2- atoms to form edge-sharing CoSe4 tetrahedra. All Co–Se bond lengths are 2.43 Å. Se2- is bonded in a 8-coordinate geometry to six equivalent K1+ and two equivalent Co2+ atoms.
DOI: 10.17188/1312701
title: Materials Data on Rb2CoSe2 by Materials Project

description: Rb2CoSe2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.51–3.68 Å. Co2+ is bonded to four equivalent Se2- atoms to form edge-sharing CoSe4 tetrahedra. All Co–Se bond lengths are 2.45 Å. Se2- is bonded in a 2-coordinate geometry to six equivalent Rb1+ and two equivalent Co2+ atoms.
DOI: 10.17188/1312702
title: Materials Data on Er2In by Materials Project

description: Er2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to six equivalent Er and five equivalent In atoms to form a mixture of distorted corner and face-sharing ErEr6In5 trigonal bipyramids. All Er–Er bond lengths are 3.51 Å. There are three shorter (3.09 Å) and two longer (3.34 Å) Er–In bond lengths. In the second Er site, Er is bonded in a 6-coordinate geometry to eight Er and six equivalent In atoms. Both Er–Er bond lengths are 3.34 Å. All Er–In bond lengths are 3.51 Å. In is bonded in a 11-coordinate geometry to eleven Er atoms.
DOI: 10.17188/1312703
title: Materials Data on Cs2CoSe2 by Materials Project

description: Cs2CoSe2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.63–3.93 Å. Co2+ is bonded to four equivalent Se2- atoms to form distorted edge-sharing CoSe4 tetrahedra. All Co–Se bond lengths are 2.46 Å. Se2- is bonded in a 2-coordinate geometry to six equivalent Cs1+ and two equivalent Co2+ atoms.
DOI: 10.17188/1312704
title: Materials Data on Lu2(NiB2)3 by Materials Project

description: Lu2(NiB2)3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Lu3+ is bonded in a 12-coordinate geometry to twelve B2- atoms. There are a spread of Lu–B bond distances ranging from 2.70–2.73 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a 6-coordinate geometry to six B2- atoms. There are two shorter (2.10 Å) and four longer (2.15 Å) Ni–B bond lengths. In the second Ni2+ site, Ni2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent B2- atoms. All Ni–B bond lengths are 2.20 Å. There are two inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Ni2+, and three B2- atoms. There is one shorter (1.71 Å) and two longer (1.75 Å) B–B bond length. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Lu3+, three Ni2+, and two B2- atoms. The B–B bond length is 1.72 Å.
DOI: 10.17188/1312705
title: Materials Data on K3CO3F by Materials Project

description: K3CO3F crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K1+ is bonded to five equivalent O2- and two equivalent F1- atoms to form a mixture of distorted face, edge, and corner-sharing KO5F2 pentagonal bipyramids. There are a spread of K–O bond distances ranging from 2.81–3.05 Å. Both K–F bond lengths are 2.64 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.31 Å. O2- is bonded in a distorted single-bond geometry to five equivalent K1+ and one C4+ atom. F1- is bonded to six equivalent K1+ atoms to form corner-sharing FK6 octahedra. The corner-sharing octahedral tilt angles are 25°.
DOI: 10.17188/1312706
title: Materials Data on Rb3CO3F by Materials Project

description: Rb3CO3F crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Rb1+ is bonded to five equivalent O2- and two equivalent F1- atoms to form a mixture of distorted corner, edge, and face-sharing RbO5F2 pentagonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.93–3.32 Å. Both Rb–F bond lengths are 2.79 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.31 Å. O2- is bonded in a distorted single-bond geometry to five equivalent Rb1+ and one C4+ atom. F1- is bonded to six equivalent Rb1+ atoms to form corner-sharing FRb6 octahedra. The corner-sharing octahedral tilt angles are 26°.
DOI: 10.17188/1312707
title: Materials Data on Sm2Au5F21 by Materials Project

description: Sm2Au5F21 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sm–F bond distances ranging from 2.26–2.56 Å. There are three inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.93–1.99 Å. In the second Au3+ site, Au3+ is bonded in a distorted square co-planar geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.96–1.98 Å. In the third Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.96 Å) and two longer (1.97 Å) Au–F bond length. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one Au3+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sm3+ atoms. In the third F1- site, F1- is bonded in a distorted linear geometry to one Sm3+ and one Au3+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Sm3+ and one Au3+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one Au3+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Au3+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Sm3+ and one Au3+ atom. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to one Sm3+ and one Au3+ atom. In the ninth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one Au3+ atom. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to one Sm3+ and one Au3+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Au3+ atom.
DOI: 10.17188/1312709
title: Materials Data on Cr2N by Materials Project

description: Cr2N is beta Vanadium nitride structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Cr is bonded in a distorted T-shaped geometry to three N atoms. There is one shorter (1.92 Å) and two longer (1.94 Å) Cr–N bond length. There are two inequivalent N sites. In the first N site, N is bonded to six equivalent Cr atoms to form corner-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second N site, N is bonded to six equivalent Cr atoms to form a mixture of edge and corner-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles are 48°.
DOI: 10.17188/1312710
title: Materials Data on SnS by Materials Project

description: SnS crystallizes in the orthorhombic Aem2 space group. The structure is two-dimensional and consists of one SnS sheet oriented in the (0, 0, 1) direction. Sn2+ is bonded in a 5-coordinate geometry to five equivalent S2- atoms. There are a spread of Sn–S bond distances ranging from 2.58–3.20 Å. S2- is bonded in a distorted single-bond geometry to five equivalent Sn2+ atoms.
DOI: 10.17188/1312711
title: Materials Data on Zr2NiAs2 by Materials Project

description: Zr2NiAs2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr2+ is bonded to six As3- atoms to form a mixture of edge, face, and corner-sharing ZrAs6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are three shorter (2.71 Å) and three longer (2.92 Å) Zr–As bond lengths. Ni2+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Ni–As bond lengths are 2.28 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 3-coordinate geometry to six equivalent Zr2+ and three equivalent Ni2+ atoms. In the second As3- site, As3- is bonded to six equivalent Zr2+ atoms to form edge-sharing AsZr6 octahedra.
DOI: 10.17188/1312712
title: Materials Data on Ho2NiAs2 by Materials Project

description: Ho2NiAs2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded in a 9-coordinate geometry to three equivalent Ni and six As atoms. All Ho–Ni bond lengths are 3.02 Å. There are three shorter (2.89 Å) and three longer (3.02 Å) Ho–As bond lengths. Ni is bonded in a 3-coordinate geometry to six equivalent Ho and three equivalent As atoms. All Ni–As bond lengths are 2.37 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 3-coordinate geometry to six equivalent Ho and three equivalent Ni atoms. In the second As site, As is bonded to six equivalent Ho atoms to form edge-sharing AsHo6 octahedra.
DOI: 10.17188/1312713
title: Materials Data on Ca4As2O by Materials Project

description: Ca4As2O is (La,Ba)CuO4 structured and 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 6-coordinate geometry to five equivalent As3- and one O2- atom. There are one shorter (2.96 Å) and four longer (3.27 Å) Ca–As bond lengths. The Ca–O bond length is 2.66 Å. In the second Ca2+ site, Ca2+ is bonded in a distorted linear geometry to four equivalent As3- and two equivalent O2- atoms. All Ca–As bond lengths are 3.12 Å. Both Ca–O bond lengths are 2.28 Å. As3- is bonded in a 9-coordinate geometry to nine Ca2+ atoms. O2- is bonded to six Ca2+ atoms to form corner-sharing OCa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1312714
title: Materials Data on La3Te4 by Materials Project

description: La3Te4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. La+2.67+ is bonded to eight equivalent Te2- atoms to form a mixture of distorted face, edge, and corner-sharing LaTe8 hexagonal bipyramids. There are four shorter (3.28 Å) and four longer (3.43 Å) La–Te bond lengths. Te2- is bonded to six equivalent La+2.67+ atoms to form a mixture of distorted face, edge, and corner-sharing TeLa6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.
DOI: 10.17188/1312715
title: Materials Data on Ba2CuO3 by Materials Project

description: Ba2CuO3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ba2+ is bonded to seven O2- atoms to form a mixture of distorted corner, edge, and face-sharing BaO7 pentagonal bipyramids. There are a spread of Ba–O bond distances ranging from 2.72–2.84 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.94 Å) and two longer (2.09 Å) Cu–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ba2+ and two equivalent Cu2+ atoms to form OBa4Cu2 octahedra that share corners with fourteen OBa4Cu2 octahedra, edges with two equivalent OBa4Cu2 octahedra, and faces with four equivalent OBa5Cu octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the second O2- site, O2- is bonded to five equivalent Ba2+ and one Cu2+ atom to form distorted OBa5Cu octahedra that share corners with eleven OBa4Cu2 octahedra, edges with eight equivalent OBa5Cu octahedra, and faces with two equivalent OBa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°.
DOI: 10.17188/1312716
title: Materials Data on Yb11(Ni10C)6 by Materials Project

description: Yb11Ni60C6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to fifteen Ni atoms. There are a spread of Yb–Ni bond distances ranging from 2.77–2.95 Å. In the second Yb site, Yb is bonded in a distorted linear geometry to twelve Ni and two equivalent C atoms. There are four shorter (3.08 Å) and eight longer (3.24 Å) Yb–Ni bond lengths. Both Yb–C bond lengths are 2.58 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a single-bond geometry to four equivalent Yb and one C atom. The Ni–C bond length is 1.83 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent Yb and twelve Ni atoms. There are four shorter (2.59 Å) and eight longer (2.61 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a distorted single-bond geometry to two equivalent Yb, five Ni, and one C atom. There are two shorter (2.44 Å) and two longer (2.48 Å) Ni–Ni bond lengths. The Ni–C bond length is 1.86 Å. In the fourth Ni site, Ni is bonded to three Yb and nine Ni atoms to form a mixture of distorted corner, edge, and face-sharing NiYb3Ni9 cuboctahedra. There are one shorter (2.30 Å) and two longer (2.34 Å) Ni–Ni bond lengths. C is bonded in a 6-coordinate geometry to one Yb and five Ni atoms.
DOI: 10.17188/1312717
title: Materials Data on K4UO5 by Materials Project

description: K4UO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six O2- atoms to form distorted KO6 octahedra that share a cornercorner with one KO6 octahedra, corners with two equivalent UO6 octahedra, edges with three equivalent UO6 octahedra, and edges with seven KO6 octahedra. The corner-sharing octahedra tilt angles range from 4–25°. There are a spread of K–O bond distances ranging from 2.67–3.14 Å. In the second K1+ site, K1+ is bonded to six O2- atoms to form distorted KO6 octahedra that share a cornercorner with one KO6 octahedra, corners with three equivalent UO6 octahedra, edges with two equivalent UO6 octahedra, and edges with five KO6 octahedra. The corner-sharing octahedra tilt angles range from 2–24°. There are a spread of K–O bond distances ranging from 2.67–3.22 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.72–2.87 Å. In the fourth K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.37 Å. In the fifth K1+ site, K1+ is bonded to six O2- atoms to form distorted KO6 octahedra that share corners with four KO6 octahedra, edges with four equivalent UO6 octahedra, and edges with six KO6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. There are two shorter (2.70 Å) and four longer (2.76 Å) K–O bond lengths. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with five KO6 octahedra, an edgeedge with one UO6 octahedra, and edges with seven KO6 octahedra. The corner-sharing octahedra tilt angles range from 2–17°. There are a spread of U–O bond distances ranging from 2.04–2.28 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one U6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one U6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one U6+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four K1+ and two equivalent U6+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one U6+ atom.