skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Low Temperature Synthesis and Characterization of AlScMo[subscript 3]O[subscript 12]

Authors:
; ; ; ;  [1]
  1. (Toledo)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
National Science Foundation (NSF)
OSTI Identifier:
1170444
Resource Type:
Journal Article
Resource Relation:
Journal Name: Materials; Journal Volume: 8; Journal Issue: (2) ; 2015
Country of Publication:
United States
Language:
ENGLISH

Citation Formats

Truitt, Rebecca, Hermes, Ilka, Main, Alyssa, Sendecki, Anne, and Lind, Cora. Low Temperature Synthesis and Characterization of AlScMo[subscript 3]O[subscript 12]. United States: N. p., 2016. Web. doi:10.3390/ma8020700.
Truitt, Rebecca, Hermes, Ilka, Main, Alyssa, Sendecki, Anne, & Lind, Cora. Low Temperature Synthesis and Characterization of AlScMo[subscript 3]O[subscript 12]. United States. doi:10.3390/ma8020700.
Truitt, Rebecca, Hermes, Ilka, Main, Alyssa, Sendecki, Anne, and Lind, Cora. Thu . "Low Temperature Synthesis and Characterization of AlScMo[subscript 3]O[subscript 12]". United States. doi:10.3390/ma8020700.
@article{osti_1170444,
title = {Low Temperature Synthesis and Characterization of AlScMo[subscript 3]O[subscript 12]},
author = {Truitt, Rebecca and Hermes, Ilka and Main, Alyssa and Sendecki, Anne and Lind, Cora},
abstractNote = {},
doi = {10.3390/ma8020700},
journal = {Materials},
number = (2) ; 2015,
volume = 8,
place = {United States},
year = {Thu Sep 08 00:00:00 EDT 2016},
month = {Thu Sep 08 00:00:00 EDT 2016}
}
  • The charge density (CD) of coordination polymer Co{sub 3}(C{sub 8}H{sub 4}O{sub 4}){sub 4}(C{sub 4}H{sub 12}N){sub 2}(C{sub 5}H{sub 11}NO){sub 3} (1) has been determined from multipole modeling of structure factors obtained from single-crystal synchrotron X-ray diffraction measurements at 16 K. The crystal structure formally contains a negatively charged framework with cations and neutral molecules in the voids. However, the CD suggests that the framework is close to neutral, and therefore qualitative conclusions based on formal charge counting, e.g., about guest inclusion properties, will be incorrect. There are considerable differences in the charge distributions of the three unique benzenedicarboxylic acid linkers, whichmore » are widely used in coordination polymers. This suggests that the electrostatic properties of coordination polymer cavities, and thereby their inclusion properties, are highly tunable. The electron density topology shows that the tetrahedrally coordinated Co atom has an atomic volume which is 15% larger than that of the octahedrally coordinated Co atom. The crystal structure has both ferromagnetic and antiferromagnetic interactions, but no direct metal-metal bonding is evidenced in the CD. The magnetic ordering therefore takes place through superexchange in the oxygen bridges and the aromatic linkers. Bonding analysis of the experimental CD reveals that two oxygen atoms, O(1) and O(11), have significant covalent contributions to the metal-ligand bonding, whereas all other oxygen atoms have closed-shell interactions with the metals. This indicates that these two oxygen atoms are the key mediators of the magnetic ordering.« less
  • The formation and properties of the post-perovskite (CaIrO{sub 3}-type) phase were studied in Fe-rich compositions along the pyrope-almandine ((Mg,Fe){sub 3}Al{sub 2}Si{sub 3}O{sub 12}) join. Natural and synthetic garnet starting materials with almandine fractions from 38 to 90 mol% were studied using synchrotron X-ray diffraction in the laser-heated diamond anvil cell. Single-phase post-perovskite could be successfully synthesized from garnet compositions at pressures above 148 GPa and temperatures higher than 1600 K. In some cases, evidence for a minor amount of Al{sub 2}O{sub 3} post-perovskite was observed for Alm38 and Alm54 compositions in the perovskite + post-perovskite two-phase region. Pressure-volume data formore » the post-perovskite phases collected during decompression show that incorporation of Fe leads to a systematic increase of unit cell volume broadly similar to the variation observed in the (Mg,Fe)SiO{sub 3} system. The presence of Al{sub 2}O{sub 3} increases the stability of perovskite relative to post-perovskite, requiring higher pressures (> 148 GPa) for synthesis of pure post-perovskites. Our data together with those of Tateno et al. (2005) also suggest that in the Al-rich system the presence of Fe has no strong effect on the pressure required to synthesize the pure post-perovskite phase, but the two-phase perovskite and post-perovskite region may be broad and its width dependent on Fe content. Our results suggest that any regions highly enriched in Al{sub 2}O{sub 3} may consist of either the perovskite phase or a mixture of perovskite and post-perovskite phases throughout the entire thickness of the D* region. The observed synthesis pressures (> 148 GPa) for a pure post-perovskite phase are beyond that at the Earth's core-mantle boundary ({approx} 135 GPa).« less