Zeitschrift fur Anorganische und Allgemeine Chemie, volume 620, issue 11, pages 2008-2013
Synthesis and Structure of Ba[ZrN2] and Ba2[NbN3]
1
Institut für Anorganische Chemie der Universität Auf der Morgenstelle 18, D‐72076 Tübingen
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2
Laboratoire de Matériaux Céramiques et de Traitements de Surface, URA CNRS 320 Université de Limoges 123 av. A. Thomas F-87060 Limoges cedex/France
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Publication type: Journal Article
Publication date: 1994-11-01
Quartile SCImago
Q3
Quartile WOS
Q4
Impact factor: 1.4
ISSN: 00442313, 15213749, 08631786
Inorganic Chemistry
Abstract
Ba3N2 reacts at 950°C under pure N2 with Zr to yield dark red, air-sensitive Ba[ZrN2]. This new compound crystallizes in the tetragonal space group P4/nmm with a = 416.10(2), c = 839.2(1) pm and Z = 2. The crystal structure was solved and refined using X-ray and neutron powder diffraction data. In the nitrido zirconate [ZrN2]2− the Zr atoms exhibit a square-pyramidal coordination by five N atoms at distances of 201(3) and 220.2(2) pm. The pyramids share all the edges in the basal plane to form layers parallel to (001) with their apices alternately pointing up and down. The Ba2+ cations are integrated into these layers at the levels of the pyramidal apices. The structure can be interpreted as a stuffed PbFCl type. Ba2[NbN3] is formed by the reaction of Ba3N2 and NbN or of Ba and Nb at 1 000°C under N2. Isostructural to Ba2[TaN3] it crystallizes in the monoclinic space group C2/c with a = 613.2(3), b = 1 176.8(3), c = 1 322.9(4) pm, β = 91.65(2)°, Z = 8. The nitrido niobate anions form chains of corner sharing NbN4 tetrahedra with distances NbN between 188(1) and 199.9(9) pm.
Synthese und Struktur von Ba[ZrN2] und Ba2[NbN3]
Ba3N2 reagiert im Stickstoffstrom bei 950°C mit Zr unter Bildung von luftempfindlichem, dunkelrotem Ba[ZrN2]. Es kristallisiert tetragonal in der Raumgruppe P4/nmm mit a = 416,10(2), c = 839,2(1) pm und Z = 2. Die Kristallstruktur wurde anhand von Rontgen- und Neutronenbeugungsdaten des Kristallpulvers verfeinert. Im Nitridozirconat [ZrN2]2− ist das Zr-Atom quadratisch-pyramidal von funf N-Atomen im Abstand von 201(3) und 220,2(2) pm koordiniert. Die Koordinationspolyeder sind in der Pyramidenbasis uber alle Kanten verknupft und bilden Schichten parallel (001) mit den Pyramidenspitzen alternierend nach oben und nach unten weisend. Die Ba2+-Kationen sind auf der Hohe der Pyramidenspitzen in diese Schichten integriert. Die Struktur kann als aufgefullter PbFCl-Typ interpretiert werden. Ba2[NbN3] entsteht aus Ba3N2 und NbN oder aus Ba und Nb im Stickstoffstrom bei ca. 1 000°C. Es kristallisiert isotyp zu Ba2[TaN3] in der monoklinen Raumgruppe C2/c mit a = 613,2(3), b = 1 176,8(3), c = 1 322,9(4) pm, β = 91,65(2)°, Z = 8. Die Nitridoniobat-Anionen bilden Ketten aus eckenverknupften NbN4-Tetraedern mit Abstanden NbN zwischen 188(1) und 199,9(9) pm.
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Seeger O. et al. Synthesis and Structure of Ba[ZrN2] and Ba2[NbN3] // Zeitschrift fur Anorganische und Allgemeine Chemie. 1994. Vol. 620. No. 11. pp. 2008-2013.
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Seeger O., Hofmann M., Strhle J., Laval J. P., Frit B. Synthesis and Structure of Ba[ZrN2] and Ba2[NbN3] // Zeitschrift fur Anorganische und Allgemeine Chemie. 1994. Vol. 620. No. 11. pp. 2008-2013.
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TY - JOUR
DO - 10.1002/zaac.19946201129
UR - https://doi.org/10.1002/zaac.19946201129
TI - Synthesis and Structure of Ba[ZrN2] and Ba2[NbN3]
T2 - Zeitschrift fur Anorganische und Allgemeine Chemie
AU - Seeger, O
AU - Hofmann, M.
AU - Strhle, J
AU - Laval, J. P.
AU - Frit, B.
PY - 1994
DA - 1994/11/01 00:00:00
PB - Wiley
SP - 2008-2013
IS - 11
VL - 620
SN - 0044-2313
SN - 1521-3749
SN - 0863-1786
ER -
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@article{1994_Seeger,
author = {O Seeger and M. Hofmann and J Strhle and J. P. Laval and B. Frit},
title = {Synthesis and Structure of Ba[ZrN2] and Ba2[NbN3]},
journal = {Zeitschrift fur Anorganische und Allgemeine Chemie},
year = {1994},
volume = {620},
publisher = {Wiley},
month = {nov},
url = {https://doi.org/10.1002/zaac.19946201129},
number = {11},
pages = {2008--2013},
doi = {10.1002/zaac.19946201129}
}
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Seeger, O., et al. “Synthesis and Structure of Ba[ZrN2] and Ba2[NbN3].” Zeitschrift fur Anorganische und Allgemeine Chemie, vol. 620, no. 11, Nov. 1994, pp. 2008-2013. https://doi.org/10.1002/zaac.19946201129.