cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.11846163
title: Additional file 14 of Amniotic fluid cell-free transcriptome: a glimpse into fetal development and placental cellular dynamics during normal pregnancy

description: Additional file 14: Table S8. Biological processes from DFLAT database associated with gestational-age differential splicing but not with differential expression from midtrimester to term. Columns are as shown in the Table S3 legend
DOI: 10.6084/m9.figshare.11846163.v1
title: Additional file 14 of Amniotic fluid cell-free transcriptome: a glimpse into fetal development and placental cellular dynamics during normal pregnancy

description: Additional file 14: Table S8. Biological processes from DFLAT database associated with gestational-age differential splicing but not with differential expression from midtrimester to term. Columns are as shown in the Table S3 legend
DOI: 10.6084/m9.figshare.21283350
title: illuminance distribution map to the A1B3C3D2E1 structure

description: This document describes the data of each point in the A1B3C3D2E1 structure irradiance distribution map
DOI: 10.6084/m9.figshare.21283350.v1
title: illuminance distribution map to the A1B3C3D2E1 structure

description: This document describes the data of each point in the A1B3C3D2E1 structure irradiance distribution map
DOI: 10.6084/m9.figshare.21283353
title: chroma distribution map to the A1B3C3D2E1 structure

description: This document describes the chromaticity coordinates of each point in A1B3C3D2E1 structure chromaticity distribution diagram
DOI: 10.6084/m9.figshare.11846172
title: Additional file 15 of Amniotic fluid cell-free transcriptome: a glimpse into fetal development and placental cellular dynamics during normal pregnancy

description: Additional file 15: Table S9. MSigDB database canonical pathways associated with gestational-age differential splicing but not with differential expression from midtrimester to term. Columns are as shown in the Table S3 legend
DOI: 10.6084/m9.figshare.21283353.v1
title: chroma distribution map to the A1B3C3D2E1 structure

description: This document describes the chromaticity coordinates of each point in A1B3C3D2E1 structure chromaticity distribution diagram
DOI: 10.6084/m9.figshare.11846172.v1
title: Additional file 15 of Amniotic fluid cell-free transcriptome: a glimpse into fetal development and placental cellular dynamics during normal pregnancy

description: Additional file 15: Table S9. MSigDB database canonical pathways associated with gestational-age differential splicing but not with differential expression from midtrimester to term. Columns are as shown in the Table S3 legend
DOI: 10.6084/m9.figshare.21283359
title: full-color mixed color map to the A1B3C3D2E1 structure

description: This document describes the chromaticity coordinates of each point in the A1B3C3D2E1 structure full-color distribution diagram
DOI: 10.6084/m9.figshare.21283359.v1
title: full-color mixed color map to the A1B3C3D2E1 structure

description: This document describes the chromaticity coordinates of each point in the A1B3C3D2E1 structure full-color distribution diagram
DOI: 10.6084/m9.figshare.11846178
title: Additional file 16 of Amniotic fluid cell-free transcriptome: a glimpse into fetal development and placental cellular dynamics during normal pregnancy

description: Additional file 16: Table S10. Genes differentially expressed with fetal sex. Columns are the same as in Table S1, except that the comparison is between pregnancies with a male versus a female fetus
DOI: 10.6084/m9.figshare.11846178.v1
title: Additional file 16 of Amniotic fluid cell-free transcriptome: a glimpse into fetal development and placental cellular dynamics during normal pregnancy

description: Additional file 16: Table S10. Genes differentially expressed with fetal sex. Columns are the same as in Table S1, except that the comparison is between pregnancies with a male versus a female fetus
DOI: 10.6084/m9.figshare.11846220
title: Additional file 7 of Amniotic fluid cell-free transcriptome: a glimpse into fetal development and placental cellular dynamics during normal pregnancy

description: Additional file 7: Table S1. Genes differentially expressed with advancing gestational age from midtrimester to term. The table includes the Affymetrix transcript cluster identifier (ID), gene symbol, gene name, ENTREZ database identifier, chromosome and strand information, genomic coordinates (start and stop), number of microarray probes used to measure the gene expression, assignment to coding or non-coding region, log2 expression change (term/midtrimester), nominal p-value, and adjusted p-value (q-value)
DOI: 10.6084/m9.figshare.11846220.v1
title: Additional file 7 of Amniotic fluid cell-free transcriptome: a glimpse into fetal development and placental cellular dynamics during normal pregnancy

description: Additional file 7: Table S1. Genes differentially expressed with advancing gestational age from midtrimester to term. The table includes the Affymetrix transcript cluster identifier (ID), gene symbol, gene name, ENTREZ database identifier, chromosome and strand information, genomic coordinates (start and stop), number of microarray probes used to measure the gene expression, assignment to coding or non-coding region, log2 expression change (term/midtrimester), nominal p-value, and adjusted p-value (q-value)
DOI: 10.6084/m9.figshare.11846223
title: Additional file 8 of Amniotic fluid cell-free transcriptome: a glimpse into fetal development and placental cellular dynamics during normal pregnancy

description: Additional file 8: Table S2. Genes differentially expressed with gestational age during midtrimester. Columns are the same as in Table S1, except that the comparison is between late (21.1–24.0 weeks) versus early (16.4–21.0 weeks) midtrimester gestation
DOI: 10.6084/m9.figshare.23207818
title: Additional file 1 of Sucrose metabolism analysis in a high sucrose sugarcane mutant clone at a mature stage in contrast to low sucrose parental clone through the transcriptomic approach

description: Additional file 1: Table S1. KEGG-Pathways.
DOI: 10.6084/m9.figshare.23207818.v1
title: Additional file 1 of Sucrose metabolism analysis in a high sucrose sugarcane mutant clone at a mature stage in contrast to low sucrose parental clone through the transcriptomic approach

description: Additional file 1: Table S1. KEGG-Pathways.
DOI: 10.17188/1690606
title: Materials Data on ScPd2Au by Materials Project

description: ScPd2Au crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScPd2Au ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to two equivalent Pd atoms. Both Sc–Pd bond lengths are 2.24 Å. Pd is bonded in a linear geometry to one Sc and one Au atom. The Pd–Au bond length is 2.64 Å. Au is bonded in a linear geometry to two equivalent Pd atoms.
DOI: 10.17188/1690607
title: Materials Data on CsScUSe5 by Materials Project

description: CsScUSe3(Se2) crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 11-coordinate geometry to eleven Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.67–4.24 Å. U6+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.92–2.94 Å. Sc3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing ScSe6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are two shorter (2.72 Å) and four longer (2.75 Å) Sc–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to three equivalent Cs1+ and two equivalent U6+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Cs1+, one U6+, and two equivalent Sc3+ atoms. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to one Cs1+, two equivalent U6+, and two equivalent Sc3+ atoms.
DOI: 10.17188/1690608
title: Materials Data on Dy2Cu4Sn5 by Materials Project

description: Dy2Cu4Sn5 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to five Cu and eight Sn atoms. There are one shorter (3.01 Å) and four longer (3.11 Å) Dy–Cu bond lengths. There are four shorter (3.19 Å) and four longer (3.25 Å) Dy–Sn bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to eight Cu and four equivalent Sn atoms. There are four shorter (3.08 Å) and four longer (3.36 Å) Dy–Cu bond lengths. All Dy–Sn bond lengths are 3.35 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted body-centered cubic geometry to four Dy, two equivalent Cu, and two equivalent Sn atoms. Both Cu–Cu bond lengths are 2.41 Å. Both Cu–Sn bond lengths are 2.70 Å. In the second Cu site, Cu is bonded in a 6-coordinate geometry to one Dy and five Cu atoms. The Cu–Cu bond length is 2.32 Å. In the third Cu site, Cu is bonded in a 9-coordinate geometry to four equivalent Dy, one Cu, and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.65 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to two equivalent Dy, two equivalent Cu, and five Sn atoms. There are one shorter (2.90 Å) and four longer (3.18 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 7-coordinate geometry to two equivalent Dy and five Sn atoms. All Sn–Sn bond lengths are 3.18 Å. In the third Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Dy and four equivalent Cu atoms.
DOI: 10.17188/1690609
title: Materials Data on HfGeRh2 by Materials Project

description: HfRh2Ge crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two HfRh2Ge ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to two equivalent Rh atoms. Both Hf–Rh bond lengths are 2.21 Å. Rh is bonded in a linear geometry to one Hf and one Ge atom. The Rh–Ge bond length is 2.35 Å. Ge is bonded in a linear geometry to two equivalent Rh atoms.
DOI: 10.17188/1690610
title: Materials Data on KFeF4 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: 10.17188/1690611
title: Materials Data on SiO2 by Materials Project

description: SiO2 is quartz (beta)-like structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. Si4+ is bonded to four equivalent O2- atoms to form corner-sharing SiO4 tetrahedra. All Si–O bond lengths are 1.62 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.
DOI: 10.17188/1690612
title: Materials Data on CsPr3 by Materials Project

description: CsPr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs is bonded to twelve Pr atoms to form CsPr12 cuboctahedra that share corners with four equivalent CsPr12 cuboctahedra, corners with eight equivalent PrCs4Pr8 cuboctahedra, edges with eight equivalent CsPr12 cuboctahedra, edges with sixteen equivalent PrCs4Pr8 cuboctahedra, faces with four equivalent CsPr12 cuboctahedra, and faces with fourteen PrCs4Pr8 cuboctahedra. There are eight shorter (3.85 Å) and four longer (3.86 Å) Cs–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Cs and eight Pr atoms to form PrCs4Pr8 cuboctahedra that share corners with twelve equivalent PrCs4Pr8 cuboctahedra, edges with eight equivalent CsPr12 cuboctahedra, edges with sixteen PrCs4Pr8 cuboctahedra, faces with four equivalent CsPr12 cuboctahedra, and faces with fourteen PrCs4Pr8 cuboctahedra. There are four shorter (3.85 Å) and four longer (3.86 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to four equivalent Cs and eight equivalent Pr atoms to form PrCs4Pr8 cuboctahedra that share corners with four equivalent PrCs4Pr8 cuboctahedra, corners with eight equivalent CsPr12 cuboctahedra, edges with twenty-four PrCs4Pr8 cuboctahedra, faces with six equivalent CsPr12 cuboctahedra, and faces with twelve PrCs4Pr8 cuboctahedra.
DOI: 10.17188/1690613
title: Materials Data on Cr(ClO2)3 by Materials Project

description: Cr(O2Cl)2ClO2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four hypochlorous acid;hydrate molecules and two Cr(O2Cl)2 sheets oriented in the (1, 0, 0) direction. In each Cr(O2Cl)2 sheet, Cr is bonded in a distorted octahedral geometry to four O and two equivalent Cl atoms. There is two shorter (1.69 Å) and two longer (2.04 Å) Cr–O bond length. Both Cr–Cl bond lengths are 2.46 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cr atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Cr and one Cl atom. The O–Cl bond length is 1.66 Å. Cl is bonded in a bent 120 degrees geometry to one Cr and one O atom.
DOI: 10.17188/1690614
title: Materials Data on TiVFe2 by Materials Project

description: TiVFe2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TiVFe2 ribbons oriented in the (1, 0, 0) direction. Ti is bonded in a linear geometry to two equivalent Fe atoms. Both Ti–Fe bond lengths are 2.19 Å. V is bonded in a linear geometry to two equivalent Fe atoms. Both V–Fe bond lengths are 2.27 Å. Fe is bonded in a linear geometry to one Ti and one V atom.
DOI: 10.17188/1690615
title: Materials Data on Li4Ni3SnO8 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: 10.17188/1690616
title: Materials Data on EuAl by Materials Project

description: EuAl is delta Molybdenum Boride-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu is bonded in a 7-coordinate geometry to seven equivalent Al atoms. There are a spread of Eu–Al bond distances ranging from 3.33–3.64 Å. Al is bonded in a 9-coordinate geometry to seven equivalent Eu and two equivalent Al atoms. Both Al–Al bond lengths are 2.79 Å.
DOI: 10.17188/1690617
title: Materials Data on KSb2Te2(HO2)2 by Materials Project

description: KSb2(HO2)2(Te)2 crystallizes in the trigonal R-3 space group. The structure is one-dimensional and consists of thirty-six tellurium molecules and three KSb2(HO2)2 ribbons oriented in the (0, 0, 1) direction. In each KSb2(HO2)2 ribbon, K1+ is bonded in a 10-coordinate geometry to three H1+ and seven O2- atoms. There are a spread of K–H bond distances ranging from 2.75–3.04 Å. There are a spread of K–O bond distances ranging from 2.80–3.25 Å. There are two inequivalent Sb+1.50+ sites. In the first Sb+1.50+ site, Sb+1.50+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 2.02–2.04 Å. In the second Sb+1.50+ site, Sb+1.50+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 2.02–2.08 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to two equivalent K1+ and two O2- atoms. There is one shorter (1.00 Å) and one longer (1.70 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent K1+, two Sb+1.50+, and one H1+ atom. In the second O2- site, O2- is bonded to two equivalent K1+ and two Sb+1.50+ atoms to form a mixture of distorted edge and corner-sharing OK2Sb2 tetrahedra. In the third O2- site, O2- is bonded in a water-like geometry to one K1+ and two H1+ atoms. In the fourth O2- site, O2- is bonded to two equivalent K1+ and two Sb+1.50+ atoms to form a mixture of distorted edge and corner-sharing OK2Sb2 tetrahedra.
DOI: 10.17188/1690618
title: Materials Data on TbAsPd by Materials Project

description: TbPdAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to six equivalent Pd and five equivalent As atoms. There are a spread of Tb–Pd bond distances ranging from 3.07–3.39 Å. There are a spread of Tb–As bond distances ranging from 2.93–3.01 Å. Pd is bonded in a 12-coordinate geometry to six equivalent Tb, two equivalent Pd, and four equivalent As atoms. Both Pd–Pd bond lengths are 3.09 Å. There are a spread of Pd–As bond distances ranging from 2.64–2.83 Å. As is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Pd atoms.
DOI: 10.17188/1690619
title: Materials Data on Pr(NiAs)2 by Materials Project

description: PrNi2As2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight As3- atoms. All Pr–As bond lengths are 3.20 Å. There are two inequivalent Ni+1.50+ sites. In the first Ni+1.50+ site, Ni+1.50+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.44 Å. In the second Ni+1.50+ site, Ni+1.50+ is bonded in a 5-coordinate geometry to five As3- atoms. There are one shorter (2.39 Å) and four longer (2.40 Å) Ni–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 4-coordinate geometry to four equivalent Pr3+ and four equivalent Ni+1.50+ atoms. In the second As3- site, As3- is bonded in a 9-coordinate geometry to four equivalent Pr3+ and five Ni+1.50+ atoms.
DOI: 10.17188/1690620
title: Materials Data on LiMg2 by Materials Project

description: LiMg2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to six equivalent Li and six Mg atoms to form distorted LiLi6Mg6 cuboctahedra that share corners with six equivalent LiLi6Mg6 cuboctahedra, corners with twelve MgLi4Mg8 cuboctahedra, edges with four equivalent LiLi6Mg6 cuboctahedra, edges with fourteen MgLi4Mg8 cuboctahedra, faces with eight equivalent LiLi6Mg6 cuboctahedra, and faces with twelve MgLi4Mg8 cuboctahedra. There are two shorter (3.10 Å) and four longer (3.15 Å) Li–Li bond lengths. There are four shorter (3.12 Å) and two longer (3.14 Å) Li–Mg bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent Li and eight Mg atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with six equivalent LiLi6Mg6 cuboctahedra, corners with twelve MgLi4Mg8 cuboctahedra, edges with three equivalent LiLi6Mg6 cuboctahedra, edges with fifteen MgLi4Mg8 cuboctahedra, faces with eight equivalent LiLi6Mg6 cuboctahedra, and faces with twelve MgLi4Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.10–3.21 Å. In the second Mg site, Mg is bonded to two equivalent Li and ten Mg atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with six equivalent LiLi6Mg6 cuboctahedra, corners with twelve MgLi4Mg8 cuboctahedra, edges with seven equivalent MgLi4Mg8 cuboctahedra, edges with eleven equivalent LiLi6Mg6 cuboctahedra, faces with four equivalent LiLi6Mg6 cuboctahedra, and faces with sixteen MgLi4Mg8 cuboctahedra. There are two shorter (3.10 Å) and two longer (3.18 Å) Mg–Mg bond lengths.
DOI: 10.17188/1690622
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: 10.17188/1690623
title: Materials Data on Ba2TbTaO6 by Materials Project

description: Ba2TbTaO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent TbO6 octahedra, and faces with four equivalent TaO6 octahedra. All Ba–O bond lengths are 3.03 Å. Tb3+ is bonded to six equivalent O2- atoms to form TbO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tb–O bond lengths are 2.27 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.01 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Tb3+, and one Ta5+ atom.
DOI: 10.17188/1690624
title: Materials Data on FeAg3F6 by Materials Project

description: FeAg3F6 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent F1- atoms to form FeF6 octahedra that share corners with six equivalent AgF6 octahedra and faces with eight equivalent AgF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–F bond lengths are 1.94 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to twelve equivalent F1- atoms to form AgF12 cuboctahedra that share corners with twelve equivalent AgF12 cuboctahedra, faces with six equivalent AgF12 cuboctahedra, faces with four equivalent FeF6 octahedra, and faces with four equivalent AgF6 octahedra. All Ag–F bond lengths are 3.04 Å. In the second Ag1+ site, Ag1+ is bonded to six equivalent F1- atoms to form AgF6 octahedra that share corners with six equivalent FeF6 octahedra and faces with eight equivalent AgF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–F bond lengths are 2.35 Å. F1- is bonded in a distorted linear geometry to one Fe3+ and five Ag1+ atoms.
DOI: 10.17188/1690626
title: Materials Data on ThMo2O11 by Materials Project

description: ThMo2O9O2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four oxygen molecules and one ThMo2O9 framework. In the ThMo2O9 framework, Th is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Th–O bond distances ranging from 2.37–2.62 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.79 Å) and one longer (1.82 Å) Mo–O bond length. In the second Mo site, Mo is bonded in a distorted tetrahedral geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.79–2.50 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Th and one Mo atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Th and one Mo atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Th and one Mo atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Th and one Mo atom. In the fifth O site, O is bonded in a single-bond geometry to one Mo atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one Th and one Mo atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Th and one Mo atom. In the eighth O site, O is bonded in a linear geometry to one Th and one Mo atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to one Th and one Mo atom.