Updated Structure Determination of La(OH)<sub>2</sub>Cl

A revised crystal structure of La(OH) 2 Cl is reported. This material is found to crystallize in space group P 2 1 / m and is isostructural to a series of Ln (OH) 2 Cl ( Ln = Ce – Lu excluding Pm). The Ln (OH) 2 Cl series has been thoroughly studied, serving as analogues to proposed actinide structures for used nuclear fuel storage. The P 2 1 / m space group has been reported for each isostructural variant in this series. La(OH) 2 Cl is described in the context of the structural trends identified with this series. A lanthanum variant has previously been reported, however, with symmetry corresponding to the space group P 2/ m . The data collected herein are compared to the previously published La(OH) 2 Cl in the space group P 2/ m . Herein, an updated hydrothermal synthesis and revised crystallographic structure for La(OH) 2 Cl in P 2 1 / m are reported. The reflection conditions of the collected X‐ray diffraction data, the bond valence sums of both structures, and total energy calculations based on density functional theory support the revised space group assignment.

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Publication Details

Journal
Zeitschrift für anorganische und allgemeine Chemie
Published
2025-04-17
DOI
https://doi.org/10.1002/zaac.202500022
Primary Topic
Thermal and Kinetic Analysis
Type
article
Field-Weighted Citation Impact
0.00

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article

Updated Structure Determination of La(OH)2Cl

Danilo Puggioni, James M. Rondinelli, Kenneth R. Poeppelmeier, Kendall R. Kamp et al.
Zeitschrift für anorganische und allgemeine Chemie
Thermal and Kinetic Analysis
article

Updated Structure Determination of La(OH)2Cl

Danilo Puggioni, James M. Rondinelli, Kenneth R. Poeppelmeier, Kendall R. Kamp, Makayla R. Baxter, Elisabeth Khatchidze
article en

Abstract

A revised crystal structure of La(OH) 2 Cl is reported. This material is found to crystallize in space group P 2 1 / m and is isostructural to a series of Ln (OH) 2 Cl ( Ln = Ce – Lu excluding Pm). The Ln (OH) 2 Cl series has been thoroughly studied, serving as analogues to proposed actinide structures for used nuclear fuel storage. The P 2 1 / m space group has been reported for each isostructural variant in this series. La(OH) 2 Cl is described in the context of the structural trends identified with this series. A lanthanum variant has previously been reported, however, with symmetry corresponding to the space group P 2/ m . The data collected herein are compared to the previously published La(OH) 2 Cl in the space group P 2/ m . Herein, an updated hydrothermal synthesis and revised crystallographic structure for La(OH) 2 Cl in P 2 1 / m are reported. The reflection conditions of the collected X‐ray diffraction data, the bond valence sums of both structures, and total energy calculations based on density functional theory support the revised space group assignment.

Zeitschrift für anorganische und allgemeine ChemieVol. 651(9)
Northwestern University (US), Université Fédérale de Toulouse Midi-Pyrénées (FR), Toulouse School of Economics (FR), Toulouse Mathematics Institute (FR)
National Science Foundation, Northwestern University, Quest High Performance Computing, Division of Materials Research, Division of Electrical, Communications and Cyber Systems
Openalex Percentile: Top 95%
Thermal and Kinetic Analysis
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Updated Structure Determination of La(OH)<sub>2</sub>Cl — Danilo Puggioni, James M. Rondinelli, et al. · Zeitschrift für anorganische und allgemeine Chemie (2025) | TGRS Research Map | TGRS