cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1685971
title: Materials Data on RbCoBr3 by Materials Project

description: RbCoBr3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. Rb1+ is bonded to twelve Br1- atoms to form RbBr12 cuboctahedra that share corners with six equivalent RbBr12 cuboctahedra, corners with six CoBr6 octahedra, faces with eight equivalent RbBr12 cuboctahedra, and faces with six CoBr6 octahedra. The corner-sharing octahedra tilt angles range from 14–18°. There are a spread of Rb–Br bond distances ranging from 3.70–4.05 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to six equivalent Br1- atoms to form CoBr6 octahedra that share corners with six equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with two equivalent CoBr6 octahedra. There are three shorter (2.57 Å) and three longer (2.59 Å) Co–Br bond lengths. In the second Co2+ site, Co2+ is bonded to six equivalent Br1- atoms to form CoBr6 octahedra that share corners with six equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with two equivalent CoBr6 octahedra. All Co–Br bond lengths are 2.58 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Co2+ atoms. In the second Br1- site, Br1- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Co2+ atoms.
DOI: 10.17188/1685972
title: Materials Data on Li5CoO4 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: 10.17188/1685973
title: Materials Data on BaBiO3 by Materials Project

description: BaBiO3 is (Cubic) Perovskite structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent BiO6 octahedra. There are a spread of Ba–O bond distances ranging from 3.07–3.21 Å. Bi is bonded to six equivalent O atoms to form BiO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. All Bi–O bond lengths are 2.22 Å. O is bonded to four equivalent Ba and two equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing OBa4Bi2 octahedra. The corner-sharing octahedra tilt angles range from 0–62°.
DOI: 10.17188/1685974
title: Materials Data on Li2Cr2O7 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: 10.6084/m9.figshare.13674949
title: Supplementary Material for: What We Have Learned from Two Decades of Epidemics and Pandemics: A Systematic Review and Meta-Analysis of the Psychological Burden of Frontline Healthcare Workers

description: In light of the current coronavirus disease 2019 (COVID-19) pandemic and potential future infectious disease outbreaks, a comprehensive understanding of the negative effects of epidemics and pandemics on healthcare workers’ mental health could inform appropriate support interventions. Thus, we aimed to synthesize and quantify the psychological and psychosomatic symptoms among frontline medical staff. We searched four databases up to March 19, 2020 and additional literature, with daily search alerts set up until October 26, 2020. Studies reporting psychological and/or psychosomatic symptoms of healthcare workers caring for patients with severe acute respiratory syndrome, H1N1, Ebola, Middle East respiratory syndrome, or COVID-19 were eligible for inclusion. Two reviewers independently conducted the search, study selection, quality appraisal, data extraction, and synthesis and involved a third reviewer in case of disagreement. We used random effects modeling to estimate the overall prevalence rates of psychological/psychosomatic symptoms and the <i>I</i><sup>2</sup> statistic. We included 86 studies, reporting data from 75,991 participants. Frontline staff showed a wide range of symptoms, including concern about transmitting the virus to the family (60.39%, 95% CI 42.53–76.96), perceived stress (56.77%, 95% CI 34.21–77.95), concerns about own health (45.97%, 95% CI 31.08–61.23), sleeping difficulties (39.88%, 95% CI 27.70–52.72), burnout (31.81%, 95% CI 13.32–53.89), symptoms of depression (25.72%, 95% CI 18.34–33.86), symptoms of anxiety (25.36%, 95% CI 17.90–33.64), symptoms of posttraumatic stress disorder (24.51%, 95% CI 18.16–31.46), mental health issues (23.11%, 95% CI 15.98–31.10), and symptoms of somatization (14.68%, 95% CI 10.67–19.18). We found consistent evidence for the pervasive and profound impact of large-scale outbreaks on the mental health of frontline healthcare workers. As the CO­VID-19 crisis continues to unfold, guaranteeing easy access to support structures for the entire healthcare workforce is vitally important.
DOI: 10.17188/1685975
title: Materials Data on LiNbCo3(PO4)6 by Materials Project

description: LiNbCo3(PO4)6 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Li1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Li–O bond lengths are 2.07 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six PO4 tetrahedra. There is three shorter (1.98 Å) and three longer (2.01 Å) Nb–O bond length. There are three inequivalent Co4+ sites. In the first Co4+ site, Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six PO4 tetrahedra. There is three shorter (1.92 Å) and three longer (2.07 Å) Co–O bond length. In the second Co4+ site, Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six PO4 tetrahedra. There is three shorter (1.97 Å) and three longer (1.99 Å) Co–O bond length. In the third Co4+ site, Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six PO4 tetrahedra. There is three shorter (1.96 Å) and three longer (1.97 Å) Co–O bond length. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one NbO6 octahedra and corners with three CoO6 octahedra. The corner-sharing octahedra tilt angles range from 21–39°. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one NbO6 octahedra and corners with three CoO6 octahedra. The corner-sharing octahedra tilt angles range from 28–33°. There is three shorter (1.53 Å) and one longer (1.57 Å) P–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Co4+ and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Co4+, and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Co4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Co4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nb5+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Co4+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Co4+ and one P5+ atom.
DOI: 10.17188/1685976
title: Materials Data on NaCr2FeO8 by Materials Project

description: NaCr2FeO8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six equivalent CrO4 tetrahedra and edges with two equivalent FeO6 octahedra. There are four shorter (2.53 Å) and two longer (2.54 Å) Na–O bond lengths. Cr6+ is bonded to four O2- atoms to form CrO4 tetrahedra that share corners with three equivalent NaO6 octahedra and corners with three equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 36–64°. There are a spread of Cr–O bond distances ranging from 1.61–1.70 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent CrO4 tetrahedra and edges with two equivalent NaO6 octahedra. All Fe–O bond lengths are 2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+ and one Cr6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Cr6+, and one Fe3+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Cr6+ and one Fe3+ atom.
DOI: 10.17188/1685977
title: Materials Data on Pm2CuNi by Materials Project

description: Pm2NiCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to four equivalent Ni and four equivalent Cu atoms. All Pm–Ni bond lengths are 3.03 Å. All Pm–Cu bond lengths are 3.03 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.
DOI: 10.17188/1685978
title: Materials Data on MnV(Co2Si)2 by Materials Project

description: VMn(Co2Si)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. V2+ is bonded in a 8-coordinate geometry to eight Co1+ and six equivalent Si4- atoms. There are two shorter (2.44 Å) and six longer (2.45 Å) V–Co bond lengths. All V–Si bond lengths are 2.83 Å. Mn2+ is bonded in a 8-coordinate geometry to eight Co1+ and six equivalent Si4- atoms. There are two shorter (2.44 Å) and six longer (2.45 Å) Mn–Co bond lengths. All Mn–Si bond lengths are 2.82 Å. There are three inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded in a distorted body-centered cubic geometry to one V2+, three equivalent Mn2+, and four equivalent Si4- atoms. All Co–Si bond lengths are 2.45 Å. In the second Co1+ site, Co1+ is bonded in a distorted body-centered cubic geometry to three equivalent V2+, one Mn2+, and four equivalent Si4- atoms. All Co–Si bond lengths are 2.45 Å. In the third Co1+ site, Co1+ is bonded in a distorted body-centered cubic geometry to one V2+, three equivalent Mn2+, and four equivalent Si4- atoms. All Co–Mn bond lengths are 2.45 Å. All Co–Si bond lengths are 2.45 Å. Si4- is bonded in a 8-coordinate geometry to three equivalent V2+, three equivalent Mn2+, and eight Co1+ atoms.
DOI: 10.17188/1685980
title: Materials Data on Rb3FeO3 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: 10.17188/1685981
title: Materials Data on V(PO3)5 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: 10.17188/1685983
title: Materials Data on FeN2 by Materials Project

description: FeN2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent N1- atoms to form FeN6 octahedra that share corners with eight equivalent FeN6 octahedra, corners with six equivalent NFe3N tetrahedra, and edges with two equivalent FeN6 octahedra. The corner-sharing octahedral tilt angles are 66°. There is two shorter (1.94 Å) and four longer (1.98 Å) Fe–N bond length. N1- is bonded to three equivalent Fe2+ and one N1- atom to form distorted NFe3N tetrahedra that share corners with three equivalent FeN6 octahedra, corners with thirteen equivalent NFe3N tetrahedra, and an edgeedge with one NFe3N tetrahedra. The corner-sharing octahedra tilt angles range from 63–67°. The N–N bond length is 1.33 Å.
DOI: 10.17188/1685985
title: Materials Data on TaInO3 by Materials Project

description: TaInO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent InO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.03 Å. In1+ is bonded to twelve equivalent O2- atoms to form InO12 cuboctahedra that share corners with twelve equivalent InO12 cuboctahedra, faces with six equivalent InO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. All In–O bond lengths are 2.88 Å. O2- is bonded in a linear geometry to two equivalent Ta5+ and four equivalent In1+ atoms.
DOI: 10.17188/1685986
title: Materials Data on WN2 by Materials Project

description: WN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of W–N bond distances ranging from 1.87–2.32 Å. In the second W6+ site, W6+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of W–N bond distances ranging from 1.82–2.45 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the third N3- site, N3- is bonded in a linear geometry to two W6+ atoms. In the fourth N3- site, N3- is bonded in a 4-coordinate geometry to four W6+ atoms.
DOI: 10.17188/1685987
title: Materials Data on GdInO3 by Materials Project

description: GdInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.27–2.97 Å. In3+ is bonded to six O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 41–46°. There are a spread of In–O bond distances ranging from 2.17–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Gd3+ and two equivalent In3+ atoms. In the second O2- site, O2- is bonded to two equivalent Gd3+ and two equivalent In3+ atoms to form distorted corner-sharing OGd2In2 trigonal pyramids.
DOI: 10.6084/m9.figshare.13356218
title: SciRep_Poli et al_Behavioural, paternity success, genetic datasets

description: Raw data files.Dataset 1_Behavioural data of territorial and sneaker males of Gobius niger recorded in the field. Data collected with action cameras on natural breeding nests.Dataset 2_Paternity success of sneaker and territorial males measured in the field with artificial nests.Dataset 3_Genetic data (format:binning) of adults and embryos of Gobius niger.
DOI: 10.17188/1685988
title: Materials Data on NaAgO by Materials Project

description: NaAgO crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Na1+ is bonded in a see-saw-like geometry to four equivalent O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.40 Å. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.10 Å. O2- is bonded to four equivalent Na1+ and two equivalent Ag1+ atoms to form a mixture of corner and edge-sharing ONa4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 1–15°.
DOI: 10.6084/m9.figshare.13356218.v1
title: SciRep_Poli et al_Behavioural, paternity success, genetic datasets

description: Raw data files.Dataset 1_Behavioural data of territorial and sneaker males of Gobius niger recorded in the field. Data collected with action cameras on natural breeding nests.Dataset 2_Paternity success of sneaker and territorial males measured in the field with artificial nests.Dataset 3_Genetic data (format:binning) of adults and embryos of Gobius niger.
DOI: 10.17188/1685989
title: Materials Data on HoFeRu by Materials Project

description: HoRuFe crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to six equivalent Ru and six equivalent Fe atoms. There are four shorter (3.01 Å) and two longer (3.03 Å) Ho–Ru bond lengths. There are two shorter (2.96 Å) and four longer (3.10 Å) Ho–Fe bond lengths. Ru is bonded to six equivalent Ho, two equivalent Ru, and four equivalent Fe atoms to form distorted RuHo6Fe4Ru2 cuboctahedra that share corners with eight equivalent FeHo6Fe2Ru4 cuboctahedra, corners with ten equivalent RuHo6Fe4Ru2 cuboctahedra, edges with six equivalent RuHo6Fe4Ru2 cuboctahedra, faces with six equivalent RuHo6Fe4Ru2 cuboctahedra, and faces with twelve equivalent FeHo6Fe2Ru4 cuboctahedra. Both Ru–Ru bond lengths are 2.67 Å. All Ru–Fe bond lengths are 2.58 Å. Fe is bonded to six equivalent Ho, four equivalent Ru, and two equivalent Fe atoms to form FeHo6Fe2Ru4 cuboctahedra that share corners with eight equivalent RuHo6Fe4Ru2 cuboctahedra, corners with ten equivalent FeHo6Fe2Ru4 cuboctahedra, edges with six equivalent FeHo6Fe2Ru4 cuboctahedra, faces with six equivalent FeHo6Fe2Ru4 cuboctahedra, and faces with twelve equivalent RuHo6Fe4Ru2 cuboctahedra. Both Fe–Fe bond lengths are 2.54 Å.
DOI: 10.17188/1685990
title: Materials Data on Cs2InAsCl6 by Materials Project

description: Cs2InAsCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent InCl6 octahedra, and faces with four equivalent AsCl6 octahedra. All Cs–Cl bond lengths are 3.90 Å. In1+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent AsCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.98 Å. As3+ is bonded to six equivalent Cl1- atoms to form AsCl6 octahedra that share corners with six equivalent InCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All As–Cl bond lengths are 2.53 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one In1+, and one As3+ atom.
DOI: 10.17188/1685992
title: Materials Data on LiMnO3 by Materials Project

description: LiMnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to eight O atoms. There are a spread of Li–O bond distances ranging from 1.95–2.52 Å. Mn is bonded to six O atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of Mn–O bond distances ranging from 1.90–1.94 Å. There are two inequivalent O sites. In the first O site, O is bonded to two equivalent Li and two equivalent Mn atoms to form distorted corner-sharing OLi2Mn2 tetrahedra. In the second O site, O is bonded in a 3-coordinate geometry to three equivalent Li and two equivalent Mn atoms.
DOI: 10.17188/1685993
title: Materials Data on ZnCu3 by Materials Project

description: Cu3Zn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded to twelve Cu atoms to form CuCu12 cuboctahedra that share corners with six equivalent CuCu12 cuboctahedra, corners with twelve equivalent ZnZn6Cu6 cuboctahedra, edges with eighteen CuCu12 cuboctahedra, faces with two equivalent ZnZn6Cu6 cuboctahedra, and faces with eighteen CuCu12 cuboctahedra. There are six shorter (2.55 Å) and six longer (2.61 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded to nine Cu and three equivalent Zn atoms to form CuZn3Cu9 cuboctahedra that share corners with eighteen equivalent CuZn3Cu9 cuboctahedra, edges with six equivalent ZnZn6Cu6 cuboctahedra, edges with twelve CuCu12 cuboctahedra, faces with six equivalent ZnZn6Cu6 cuboctahedra, and faces with fourteen CuCu12 cuboctahedra. All Cu–Cu bond lengths are 2.61 Å. All Cu–Zn bond lengths are 2.61 Å. Zn is bonded to six equivalent Cu and six equivalent Zn atoms to form ZnZn6Cu6 cuboctahedra that share corners with six equivalent ZnZn6Cu6 cuboctahedra, corners with twelve equivalent CuCu12 cuboctahedra, edges with six equivalent ZnZn6Cu6 cuboctahedra, edges with twelve equivalent CuZn3Cu9 cuboctahedra, faces with six equivalent ZnZn6Cu6 cuboctahedra, and faces with fourteen CuCu12 cuboctahedra. All Zn–Zn bond lengths are 2.61 Å.
DOI: 10.17188/1685994
title: Materials Data on Re4(As2S)3 by Materials Project

description: Re4As6S3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Re4+ sites. In the first Re4+ site, Re4+ is bonded in a 6-coordinate geometry to three equivalent As+1.67- and three equivalent S2- atoms. All Re–As bond lengths are 2.66 Å. All Re–S bond lengths are 2.35 Å. In the second Re4+ site, Re4+ is bonded in a 6-coordinate geometry to four As+1.67- and two equivalent S2- atoms. There are a spread of Re–As bond distances ranging from 2.49–2.66 Å. Both Re–S bond lengths are 2.33 Å. There are four inequivalent As+1.67- sites. In the first As+1.67- site, As+1.67- is bonded in a tetrahedral geometry to four As+1.67- atoms. There are one shorter (2.48 Å) and three longer (2.50 Å) As–As bond lengths. In the second As+1.67- site, As+1.67- is bonded to three equivalent Re4+ and one As+1.67- atom to form a mixture of distorted corner and edge-sharing AsRe3As tetrahedra. In the third As+1.67- site, As+1.67- is bonded to three Re4+ and one As+1.67- atom to form a mixture of distorted corner and edge-sharing AsRe3As tetrahedra. In the fourth As+1.67- site, As+1.67- is bonded in a 3-coordinate geometry to three equivalent Re4+ atoms. S2- is bonded in a 3-coordinate geometry to three Re4+ atoms.
DOI: 10.17188/1685995
title: Materials Data on UCuO6 by Materials Project

description: UCuO6 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one UCuO6 sheet oriented in the (1, 0, 1) direction. U is bonded to seven O atoms to form distorted edge-sharing UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.83–2.50 Å. Cu is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Cu–O bond distances ranging from 1.79–1.84 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a distorted water-like geometry to one U and one Cu atom. In the fourth O site, O is bonded in a distorted T-shaped geometry to one U and two equivalent Cu atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two equivalent U atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to one U and one Cu atom.