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RESEARCH PAPER · Inorganic Chemistry · 2015

Flux Synthesis, Structure, Properties, and Theoretical Magnetic Study of Uranium(IV)-Containing A2USi6O15 (A = K, Rb) with an Intriguing Green-to-Purple, Crystal-to-Crystal Structural Transition in the K Analogue

Gregory W. Morrison, Harry Ramanantoanina, Werner Urland, Mark D. Smith, Hans‐Conrad zur Loye

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Flux Synthesis, Structure, Properties, and Theoretical Magnetic Study of Uranium(IV)-Containing A2USi6O15 (A = K, Rb) with an Intriguing Green-to-Purple, Crystal-to-Crystal Structural Transition in the K AnalogueOriginalDevelopment and applications of the LFDFT: the non-empirical account of ligand field and the simulation of the f–d transitions by density functional theory36ChemInform Abstract: Flux Synthesis, Structure, Properties, and Theoretical Magnetic Study of Uranium(IV)‐Containing A2USi6O15 (A: K, Rb) with an Intriguing Green‐to‐Purple, Crystal‐to‐Crystal Structural Transition in the K Analogue.0Intrinsic blue-white luminescence, luminescence color tunability, synthesis, structure, and polymorphism of K 3 YSi 2 O 734Flux Growth of [NaK6F][(UO2)3(Si2O7)2] and [KK6Cl][(UO2)3(Si2O7)2]: The Effect of Surface Area to Volume Ratios on Reaction Products38LiSc(SeO3)2·xH2O (0 ≤ x ≤ 1): New Selenites Revealing Water Molecule-Driven Extremely High Temperature Single-Crystal-to-Single-Crystal Transformations16Comprehensive Characterization of the Electronic Structure of U4+ in Uranium(IV) Phosphate Chloride11Tubular Chains, Single Layers, and Multiple Chains in Uranyl Silicates: A2[(UO2)Si4O10] (A = Na, K, Rb, Cs)13On the calculation of multiplet energies of three-open-shell 4f 13 5f n 6d 1 electron configuration by LFDFT: modeling the optical spectra of 4f core-electron excitation in actinide compounds9Where Do New Materials Come From? Neither the Stork nor the Birds and the Bees! In Search of the Next “First Material”1Flux versus Hydrothermal Growth: Polymorphism of A2(UO2)Si2O6 (A = Rb, Cs)19Uranium(IV) Chloride Complexes: UCl62– and an Unprecedented U(H2O)4Cl4 Structural Unit26One-dimensional chain structures of hexanuclear uranium( iv ) clusters bridged by formate ligands9An Ultrastable Heterobimetallic Uranium(IV)/Vanadium(III) Solid Compound Protected by a Redox-Active Phosphite Ligand: Crystal Structure, Oxidative Dissolution, and First-Principles Simulation11A family of rare earth uranium oxides, RE6UO12-δ, (RE = Rare Earth). Synthesis, structure and magnetic behavior5Breaking a Paradigm: Observation of Magnetic Order in the Purple U(IV) Phosphite: U(HPO3)25Flux crystal growth: a versatile technique to reveal the crystal chemistry of complex uranium oxides49Structural and Spectroscopic Investigation of Novel 2D and 3D Uranium Oxo-Silicates/Germanates and Some Statistical Aspects of Uranyl Coordination in Oxo-Salts14Targeting complex plutonium oxides by combining crystal chemical reasoning with density-functional theory calculations: the quaternary plutonium oxide Cs 2 PuSi 6 O 159Crystal Growth of Alkali Uranyl Borates from Molten Salt Fluxes: Characterization and Ion Exchange Behavior of A2(UO2)B2O5 (A = Cs, Rb, K)13Supramolecular Assembly of U(IV) Clusters and Superatoms with Unconventional Countercations51Pentanary cesium titanyl/titanate silicate oxyfluorides: Syntheses and structures2Crystallization of Uranyl Silicate Natroboltwoodite during an Experimental Dissolution of the Mineral Yttrialite-(Y): Crystal Structure and Raman Spectroscopy3Structures and Magnetic Properties of K2Pd4U6S17, K2Pt4U6S17, Rb2Pt4U6S17, and Cs2Pt4U6S17 Synthesized Using the Boron–Chalcogen Mixture Method10Polymorphism in A 3 MF 6 (A = Rb, Cs; M = Al, Ga) grown using mixed halide fluxes13Synthesis, Characterization, and Magnetic Properties of Uranium-Containing 2H-Perovskite-Related Sulfides: Ba3MUS6 (M = Mn, Fe, Co, Ni) and Ba3Co0.858(5)Mg0.142(5)US65Exploring the Valence Diversity of Uranium by Flux Growth of Uranium Silicate under Inert Atmosphere6Flux Method Growth and Structural Analysis of Two Tetravalent Uranium Orthophosphate Single Crystals, Cs2UIV(PO4)2 and Isostructural Cs2(UIV0.75CeIV0.25)(PO4)24Molten Flux Synthesis of Plutonium (IV) Silicates K2PuSi2O7 and Rb2PuSi6O151Insight into γ-Irradiation-Induced Structure Evolution of Uranium(IV) Germanates as Crystalline Nuclear Waste Forms2Incorporation of uranium to the langbeinite family in Cs2UⅣLn(PO4)3 actinide waste forms3Rich Chemical Behavior and Topological Variation in Uranium Phosphates via Flux Growth under an Inert Atmosphere0Structure and Properties of Uranium‐Containing ZrSiO 4 Microcrystalline Glasses: Intriguing Electron Adjustment1

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  1. Development and applications of the LFDFT: the non-empirical account of ligand field and the simulation of the f–d transitions by density functional theory

    Physical Chemistry Chemical Physics · 2015-01-01

    Harry Ramanantoanina, Mohammed SAHNOUN, Andrea Barbiero, Marilena Ferbinţeanu, Fanica Cimpoesu

    Read original paper ↗ ·

  2. ChemInform Abstract: Flux Synthesis, Structure, Properties, and Theoretical Magnetic Study of Uranium(IV)‐Containing A2USi6O15 (A: K, Rb) with an Intriguing Green‐to‐Purple, Crystal‐to‐Crystal Structural Transition in the K Analogue.

    ChemInform · 2015-07-24

    Gregory W. Morrison, Harry Ramanantoanina, Werner Urland, Mark D. Smith, Hans‐Conrad zur Loye

    Read original paper ↗ ·

  3. Intrinsic blue-white luminescence, luminescence color tunability, synthesis, structure, and polymorphism of K 3 YSi 2 O 7

    CrystEngComm · 2016-01-01

    Allison M. Latshaw, Gregory W. Morrison, Karl D. zur Loye, Alexis R. Myers, Mark D. Smith, Hans‐Conrad zur Loye

    Read original paper ↗ ·

  4. Flux Growth of [NaK6F][(UO2)3(Si2O7)2] and [KK6Cl][(UO2)3(Si2O7)2]: The Effect of Surface Area to Volume Ratios on Reaction Products

    Crystal Growth & Design · 2016-02-02

    Gregory W. Morrison, Hans‐Conrad zur Loye

    Read original paper ↗ ·

  5. LiSc(SeO3)2·xH2O (0 ≤ x ≤ 1): New Selenites Revealing Water Molecule-Driven Extremely High Temperature Single-Crystal-to-Single-Crystal Transformations

    Crystal Growth & Design · 2016-05-04

    Seung Yoon Song, Kang Min Ok

    Read original paper ↗ ·

  6. Comprehensive Characterization of the Electronic Structure of U4+ in Uranium(IV) Phosphate Chloride

    Inorganic Chemistry · 2016-06-29

    Anna Bronova, Thomas Droß, Robert Glaum, Heiko Lueken, Manfred Speldrich, Werner Urland

    Read original paper ↗ ·

  7. Tubular Chains, Single Layers, and Multiple Chains in Uranyl Silicates: A2[(UO2)Si4O10] (A = Na, K, Rb, Cs)

    Crystal Growth & Design · 2016-08-10

    Hsin‐Kuan Liu, Chun-Chi Peng, Wen‐Jung Chang, Kwang‐Hwa Lii

    Read original paper ↗ ·

  8. On the calculation of multiplet energies of three-open-shell 4f 13 5f n 6d 1 electron configuration by LFDFT: modeling the optical spectra of 4f core-electron excitation in actinide compounds

    Physical Chemistry Chemical Physics · 2017-01-01

    Harry Ramanantoanina

    Read original paper ↗ ·

  9. Where Do New Materials Come From? Neither the Stork nor the Birds and the Bees! In Search of the Next “First Material”

    Scholar Commons (University of South Carolina) · 2017-01-01

    Gregory W. Morrison, Dileka Abeysinghe, Justin B. Felder, Shani Egodawatte, Timothy Ferreira, Hans‐Conrad zur Loye

    Read original paper ↗ ·

  10. Flux versus Hydrothermal Growth: Polymorphism of A2(UO2)Si2O6 (A = Rb, Cs)

    Inorganic Chemistry · 2017-01-20

    Gregory W. Morrison, Mark D. Smith, Hans‐Conrad zur Loye

    Read original paper ↗ ·

  11. Uranium(IV) Chloride Complexes: UCl62– and an Unprecedented U(H2O)4Cl4 Structural Unit

    Inorganic Chemistry · 2017-07-31

    Jennifer N. Wacker, Monica Vasiliu, Kevin Huang, Ryan Baumbach, Jeffery A. Bertke, David A. Dixon, Karah E. Knope

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  12. One-dimensional chain structures of hexanuclear uranium( iv ) clusters bridged by formate ligands

    RSC Advances · 2018-01-01

    Jie Ling, Huangjie Lu, Yaxing Wang, Kenndra Johnson, Shuao Wang

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  13. An Ultrastable Heterobimetallic Uranium(IV)/Vanadium(III) Solid Compound Protected by a Redox-Active Phosphite Ligand: Crystal Structure, Oxidative Dissolution, and First-Principles Simulation

    Inorganic Chemistry · 2018-01-10

    Daxiang Gui, Xing Dai, Tao Zheng, Xiangxiang Wang, Mark A. Silver, Lanhua Chen, Chao Zhang, Juan Diwu, Ruhong Zhou, Zhifang Chai, Shuao Wang

    Read original paper ↗ ·

  14. A family of rare earth uranium oxides, RE6UO12-δ, (RE = Rare Earth). Synthesis, structure and magnetic behavior

    Journal of Solid State Chemistry · 2018-07-23

    Mohammad Usman, Justin B. Felder, Gregory W. Morrison, Hans‐Conrad zur Loye

    Read original paper ↗ ·

  15. Breaking a Paradigm: Observation of Magnetic Order in the Purple U(IV) Phosphite: U(HPO3)2

    Inorganic Chemistry · 2018-07-31

    Justin B. Felder, Mark D. Smith, Hans‐Conrad zur Loye

    Read original paper ↗ ·

  16. Flux crystal growth: a versatile technique to reveal the crystal chemistry of complex uranium oxides

    Dalton Transactions · 2019-01-01

    Christian A. Juillerat, Vladislav V. Klepov, Gregory W. Morrison, Kristen A. Pace, Hans‐Conrad zur Loye

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  17. Structural and Spectroscopic Investigation of Novel 2D and 3D Uranium Oxo-Silicates/Germanates and Some Statistical Aspects of Uranyl Coordination in Oxo-Salts

    Inorganic Chemistry · 2019-07-16

    Haijian Li, Eike M. Langer, Philip Kegler, Evgeny V. Alekseev

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  18. Targeting complex plutonium oxides by combining crystal chemical reasoning with density-functional theory calculations: the quaternary plutonium oxide Cs 2 PuSi 6 O 15

    Chemical Communications · 2020-01-01

    Kristen A. Pace, Vladislav V. Klepov, Matthew S. Christian, Gregory W. Morrison, Travis K. Deason, Ceren Kütahyalı Aslani, Theodore M. Besmann, David P. DiPrete, Jake Amoroso, Hans‐Conrad zur Loye

    Read original paper ↗ ·

  19. Crystal Growth of Alkali Uranyl Borates from Molten Salt Fluxes: Characterization and Ion Exchange Behavior of A2(UO2)B2O5 (A = Cs, Rb, K)

    Inorganic Chemistry · 2020-04-10

    Kristen A. Pace, Robert J. Koch, Mark D. Smith, Gregory W. Morrison, Vladislav V. Klepov, Theodore M. Besmann, Scott T. Misture, Hans‐Conrad zur Loye

    Read original paper ↗ ·

  20. Supramolecular Assembly of U(IV) Clusters and Superatoms with Unconventional Countercations

    Journal of the American Chemical Society · 2020-04-22

    Ian Colliard, Gregory W. Morrison, Hans‐Conrad zur Loye, May Nyman

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  21. Pentanary cesium titanyl/titanate silicate oxyfluorides: Syntheses and structures

    Solid State Sciences · 2021-06-05

    Gregory W. Morrison, Vladislav V. Klepov, Hans‐Conrad zur Loye

    Read original paper ↗ ·

  22. Crystallization of Uranyl Silicate Natroboltwoodite during an Experimental Dissolution of the Mineral Yttrialite-(Y): Crystal Structure and Raman Spectroscopy

    Crystal Growth & Design · 2022-01-20

    Jakub Plášil, Radek Škoda, Karolína Fatková

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  23. Structures and Magnetic Properties of K2Pd4U6S17, K2Pt4U6S17, Rb2Pt4U6S17, and Cs2Pt4U6S17 Synthesized Using the Boron–Chalcogen Mixture Method

    Inorganic Chemistry · 2022-06-29

    Logan S. Breton, Ryan Baumbach, Hunter B. Tisdale, Hans‐Conrad zur Loye

    Read original paper ↗ ·

  24. Polymorphism in A 3 MF 6 (A = Rb, Cs; M = Al, Ga) grown using mixed halide fluxes

    Dalton Transactions · 2023-01-01

    Gregory W. Morrison, Lakshani W. Masachchi, Hunter B. Tisdale, Tieyan Chang, Virginia G. Jones, K. Pilar Zamorano, Logan S. Breton, Mark D. Smith, Yu‐Sheng Chen, Hans‐Conrad zur Loye

    Read original paper ↗ ·

  25. Synthesis, Characterization, and Magnetic Properties of Uranium-Containing 2H-Perovskite-Related Sulfides: Ba3MUS6 (M = Mn, Fe, Co, Ni) and Ba3Co0.858(5)Mg0.142(5)US6

    Inorganic Chemistry · 2023-10-09

    Logan S. Breton, Gregory W. Morrison, Hans‐Conrad zur Loye

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  26. Exploring the Valence Diversity of Uranium by Flux Growth of Uranium Silicate under Inert Atmosphere

    Inorganic Chemistry · 2024-03-02

    Xu Zhang, Tao Bo, Zhi‐wei Huang, Zhiheng Zhou, Kong‐Qiu Hu, Wei‐Qun Shi, Lei Mei

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  27. Flux Method Growth and Structural Analysis of Two Tetravalent Uranium Orthophosphate Single Crystals, Cs2UIV(PO4)2 and Isostructural Cs2(UIV0.75CeIV0.25)(PO4)2

    Inorganic Chemistry · 2024-09-05

    Yu Wang, Xiaochen Zhang, Lanxin Li, Tao Bo, Lei Zhang

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  28. Molten Flux Synthesis of Plutonium (IV) Silicates K2PuSi2O7 and Rb2PuSi6O15

    European Journal of Inorganic Chemistry · 2024-09-11

    Travis K. Deason, Gregory W. Morrison, Amir Mofrad, Jake Amoroso, David DiPrete, Theodore M. Besmann, Shanna L. Estes, Hans‐Conrad zur Loye

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  29. Insight into γ-Irradiation-Induced Structure Evolution of Uranium(IV) Germanates as Crystalline Nuclear Waste Forms

    Inorganic Chemistry · 2024-10-25

    Xu Zhang, Liao Meng, Chengguang Yang, Tao Bo, Jiazhuang Chen, Yan Guo, Jipan Yu, Lin Wang, Kong‐Qiu Hu, Wei‐Qun Shi, Meng Zhang, Lei Mei

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  30. Incorporation of uranium to the langbeinite family in Cs2UⅣLn(PO4)3 actinide waste forms

    Communications Chemistry · 2025-11-27

    Yu Wang, Lanxin Li, Tao Bo, Zhenyu Han, Yongliang Tang, Wenwen Lin, Meng Zhang, Jie Qiu, Lei Zhang

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  31. Rich Chemical Behavior and Topological Variation in Uranium Phosphates via Flux Growth under an Inert Atmosphere

    Inorganic Chemistry · 2026-03-23

    Hui-ye Zhang, Xu Zhang, Kong-qiu Hu, Wei Jin, Tao Bo, Li-yong Yuan, Wei‐Qun Shi, Meng Zhang, Lei Mei, Jing-jing Dong

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  32. Structure and Properties of Uranium‐Containing ZrSiO 4 Microcrystalline Glasses: Intriguing Electron Adjustment

    Journal of the American Ceramic Society · 2026-03-24

    Ze Qiu, Wencai Cheng, Zhenwei Niu, Congcong Ding, Xiaoyan Shu, Dong Wu, Xirui Lu

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