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Materials Data on UCO5 by Materials Project

UO2CO3 crystallizes in the orthorhombic Imm2 space group. The structure is zero-dimensional and consists of two carbonic acid molecules and two pitchblend, uranium(iv) oxide, uranium(iv) dioxide, uranium dioxide molecules.

36 MATERIALS SCIENCE↗

Materials Data on UCO5 by Materials Project

UO2CO3 crystallizes in the orthorhombic Pmmn space group. The structure is zero-dimensional and consists of two carbonic acid molecules and two pitchblend, uranium(iv) oxide, uranium(iv) dioxide, uranium dioxide molecules.

36 MATERIALS SCIENCE↗

Materials Data on UCO6 by Materials Project

UO4CO2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight carbon dioxide molecules and four UO4 clusters. In each UO4 cluster, U is bonded to five O atoms to form distorted edge-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 1.84–2.15 Å. There are four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent U atoms. 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 single-bond geometry to one U atom. In the fourth O site, O is bonded in a single-bond geometry to one U atom.

36 MATERIALS SCIENCE↗

Materials Data on U(C2O5)2 by Materials Project

UO2(CO2)4 crystallizes in the orthorhombic Ccce space group. The structure is zero-dimensional and consists of sixteen formic acid molecules and four pitchblend, uranium(iv) oxide, uranium(iv) dioxide, uranium dioxide molecules.

36 MATERIALS SCIENCE↗

Materials Data on UC4O7 by Materials Project

UC4O7 is Magnesium structured and crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of four UC4O7 clusters. U6+ is bonded in a distorted pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.83–2.59 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.23 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.23 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one C2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.

36 MATERIALS SCIENCE↗

Materials Data on UC2O7 by Materials Project

UO3(CO2)2 crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of sixteen carbon dioxide molecules and eight UO3 clusters. In each UO3 cluster, U6+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is two shorter (1.84 Å) and one longer (1.89 Å) U–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.

36 MATERIALS SCIENCE↗

Materials Data on UC2O7 by Materials Project

UC2O7 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of two UC2O7 sheets oriented in the (0, 0, 1) direction. U6+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.02–2.53 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.20–1.46 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.21–1.37 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent U6+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one C4+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent U6+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on UCO6 by Materials Project

UO4CO2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of eight carbon dioxide molecules and four UO4 ribbons oriented in the (0, 1, 0) direction. In each UO4 ribbon, U is bonded to five O atoms to form distorted corner-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 1.83–2.27 Å. There are four 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 single-bond geometry to one U atom. In the fourth O site, O is bonded in a distorted linear geometry to two equivalent U atoms.

36 MATERIALS SCIENCE↗

Materials Data on U3(C3O8)2 by Materials Project

U3(C3O8)2 crystallizes in the cubic I23 space group. The structure is zero-dimensional and consists of eight U3(C3O8)2 clusters. U+5.33+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.81–2.66 Å. There are two inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.22 Å. In the second C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.22 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U+5.33+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent U+5.33+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to two equivalent U+5.33+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one U+5.33+ and one C+2.67+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one U+5.33+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one U+5.33+ and one C+2.67+ atom.

36 MATERIALS SCIENCE↗