Ba6(MN4)N2–x (M = MoVI/TaV), a Subvalent Nitridometalate with Perovskite-like Crystal Structure

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F19%3A43958864" target="_blank" >RIV/49777513:23640/19:43958864 - isvavai.cz</a>

Výsledek na webu

<a href="https://onlinelibrary.wiley.com/doi/full/10.1002/zaac.201800400" target="_blank" >https://onlinelibrary.wiley.com/doi/full/10.1002/zaac.201800400</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/zaac.201800400" target="_blank" >10.1002/zaac.201800400</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Ba6(MN4)N2–x (M = MoVI/TaV), a Subvalent Nitridometalate with Perovskite-like Crystal Structure

Popis výsledku v původním jazyce

The subvalent nitridometalate Ba-6[(Mo1-xTax)N-4]N-0.86 was prepared from mixtures of Mo powder with Ba, Na, and Ba2N at 600 degrees C in Ta ampoules. It crystallizes in space group Cmcm with a = 11.672(3), b = 10.177(2) and c = 10.8729(19) angstrom. Its crystal structure exhibits an orthorhombically distorted Perovskite topology with [Ba6N] building units forming the ReO3-type lattice via common vertices, and the nitridometalate anions occupying half of the available distorted cuboctahedral interstices. [MN4] anions show statistically mixed occupancy of M by Mo-VI and Ta-V. They show no notable deviation from nitridometalate anions in known ionic nitridomolybdates and -tantalates, and the metrics of the [Ba6N] octahedra correspond to those found in similar subvalent compounds. The nitrogen atom position centering the [Ba6N] octahedra is underoccupied. Band structure calculations corroborate the subvalent character of the compound and the two individual anionic structural building units.

Název v anglickém jazyce

Ba6(MN4)N2–x (M = MoVI/TaV), a Subvalent Nitridometalate with Perovskite-like Crystal Structure

Popis výsledku anglicky

The subvalent nitridometalate Ba-6[(Mo1-xTax)N-4]N-0.86 was prepared from mixtures of Mo powder with Ba, Na, and Ba2N at 600 degrees C in Ta ampoules. It crystallizes in space group Cmcm with a = 11.672(3), b = 10.177(2) and c = 10.8729(19) angstrom. Its crystal structure exhibits an orthorhombically distorted Perovskite topology with [Ba6N] building units forming the ReO3-type lattice via common vertices, and the nitridometalate anions occupying half of the available distorted cuboctahedral interstices. [MN4] anions show statistically mixed occupancy of M by Mo-VI and Ta-V. They show no notable deviation from nitridometalate anions in known ionic nitridomolybdates and -tantalates, and the metrics of the [Ba6N] octahedra correspond to those found in similar subvalent compounds. The nitrogen atom position centering the [Ba6N] octahedra is underoccupied. Band structure calculations corroborate the subvalent character of the compound and the two individual anionic structural building units.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/EF15_003%2F0000358" target="_blank" >EF15_003/0000358: Výpočetní a experimentální design pokročilých materiálů s novými funkcionalitami</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2019

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE

ISSN

0044-2313

e-ISSN

—

Svazek periodika

645

Číslo periodika v rámci svazku

3

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

6

Strana od-do

278-283

Kód UT WoS článku

000459876900022

EID výsledku v databázi Scopus

2-s2.0-85056359893