Kristian Witthaut

An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Crystal (programming language)

10.25505/fiz.icsd.cc27rwhd

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CSD 2078533: Experimental Crystal Structure Determination

The Cambridge Structural Database (2021)

Valentin Weippert Kristian Witthaut Monika M. Pointner Malte Sachs Lucien Eisenburger

An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Crystal (programming language)

10.25505/fiz.icsd.cc27rwgc

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Graphical Abstract: Angew. Chem. Int. Ed. 17/2024

Angewandte Chemie International Edition (2024)

Anna Hartmann Ujjal Das X Li Ying‐Hui Fu Nan Wei

In their Research Article (e202319677), Alessandro Porchetta et al. rationally designed PAM-engineered DNA hairpins as input-responsive activators of Cas12a.By utilizing the trans-cleavage activity of Cas12a as a signal transduction method, one-pot detection of IgG antibodies was demonstrated.

INT

10.1002/anie.202481711

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The Fundamental Disorder Unit in (Si, P)−(O, N) Networks

Angewandte Chemie (2024)

Marwin Dialer Kristian Witthaut Thomas Bräuniger Peter J. Schmidt Wolfgang Schnick

Abstract This study presents the synthesis and characterization of oxonitridosilicate phosphates Sr 3 SiP 3 O 2 N 7 , Sr 5 Si 2 P 4 ON 12 , and Sr 16 Si 9 P 9 O 7 N 33 as the first of their kind. These compounds were synthesized under high‐temperature (1400 °C) and high‐pressure (3 GPa) conditions. A unique structural feature is their common fundamental building unit, a vierer single chain of (Si, P)(O, N) 4 tetrahedra. All tetrahedra comprise substitutional disorder which is why we refer to it as the fundamental disorder unit (FDU). We classified four different FDU motifs, revealing systematic bonding patterns. Including literature known Sr 5 Si 2 P 6 N 16 , three of the four patterns were found in the presented compounds. Common techniques like single‐crystal X‐ray diffraction (SCXRD), elemental analyses, and 31 P nuclear magnetic resonance (NMR) spectroscopy were utilized for structural analysis. Additionally, low‐cost crystallographic calculations (LCC) provided insights into the structure of Sr 16 Si 9 P 9 O 7 N 33 where NMR data were unavailable due to the lack of bulk samples. The optical properties of these compounds, when doped with Eu 2+ , were investigated using photoluminescence excitation (PLE), photoluminescence (PL) measurements, and density functional theory (DFT) calculations. Factors influencing the emission properties, including thermal quenching mechanisms, were discussed. This research reveals the new class of oxonitridosilicate phosphates with unique systematic structural features that offer potential for theoretical studies of luminescence and band gap tuning in insulators.

10.1002/ange.202401419

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CSD 2078536: Experimental Crystal Structure Determination

The Cambridge Structural Database (2021)

Valentin Weippert Kristian Witthaut Monika M. Pointner Malte Sachs Lucien Eisenburger

An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.25505/fiz.icsd.cc27rwkg

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CSD 2078538: Experimental Crystal Structure Determination

The Cambridge Structural Database (2021)

Valentin Weippert Kristian Witthaut Monika M. Pointner Malte Sachs Lucien Eisenburger

An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Crystal (programming language)

10.25505/fiz.icsd.cc27rwmj

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Synthesis and Comprehensive Studies of Be‐IV‐N₂ (IV=Si, Ge): Solving the Mystery of Wurtzite‐Type Pmc2₁ Structures

Angewandte Chemie International Edition (2024)

Georg Krach Kristian Witthaut Jennifer Steinadler Thomas Bräuniger Victor Milman

The research for wurtzite-type ternary nitride semiconductors containing earth abundant elements with a stoichiometry of 1 : 1 : 2 was focused on metals like Mg or Zn, so far. The vast majority of these Grimm-Sommerfeld analogue compounds crystallize in the β-NaFeO

Wurtzite crystal structure

10.1002/anie.202409593

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Tunable Narrow‐Band Cyan‐Emission of Eu²⁺‐doped Nitridomagnesophosphates Ba_3−xSr_x[Mg₂P₁₀N₂₀] : Eu²⁺ (x=0–3)

Angewandte Chemie International Edition (2024)

Reinhard M. Pritzl Monika M. Pointner Kristian Witthaut Philipp Strobel Peter J. Schmidt

Abstract Tetrahedron‐based nitrides offer a wide range of properties and applications. Highly condensed nitridophosphates are examples of nitrides that exhibit fascinating luminescence properties when doped with Eu 2+ , making them appealing for industrial applications. Here, we present the first nitridomagnesophosphate solid solution series Ba 3− x Sr x [Mg 2 P 10 N 20 ] : Eu 2+ ( x =0–3), synthesized by a high‐pressure high‐temperature approach using the multianvil technique (3 GPa, 1400 °C). Starting from the binary nitrides P 3 N 5 and Mg 3 N 2 and the respective alkaline earth azides, we incorporate Mg into the P/N framework to increase the degree of condensation κ to 0.6, the highest observed value for alkaline earth nitridophosphates. The crystal structure was elucidated by single‐crystal X‐ray diffraction, powder X‐ray diffraction, energy‐dispersive X‐ray spectroscopy (EDX), and solid‐state NMR. DFT calculations were performed on the title compounds and other related highly condensed nitridophosphates to investigate the influence of Mg in the P/N network. Eu 2+ ‐doped samples of the solid solution series show a tunable narrow‐band emission from cyan to green (492–515 nm), which is attributed to the preferred doping of a single crystallographic site. Experimental confirmation of this assumption was provided by overdoping experiments and STEM‐HAADF studies on the series as well on the stoichiometric compound Ba 2 Eu[Mg 2 P 10 N 20 ] with additional atomic resolution energy‐dispersive X‐ray spectroscopy (EDX) mapping.

10.1002/anie.202403648

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CSD 2010143: Experimental Crystal Structure Determination

The Cambridge Structural Database (2020)

Valentin Weippert Thanh Chau Kristian Witthaut Dirk Johrendt

An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Crystal (programming language)

10.25505/fiz.icsd.cc25gqbq

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CSD 2078542: Experimental Crystal Structure Determination

The Cambridge Structural Database (2021)

Valentin Weippert Kristian Witthaut Monika M. Pointner Malte Sachs Lucien Eisenburger

An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Crystal (programming language)

10.25505/fiz.icsd.cc27rwrn

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Kristian Witthaut

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