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Title: An inverse Ruddlesden-Popper nitride Ca 7(Li 1–xFe x)Te 2N 2 grown from Ca flux

Nitridoferrates containing monovalent iron ions are a class of materials of recent interest as potentially novel magnetic materials. Aiming at the exploration of nitridoferrates of calcium, we report the single crystal growth from Ca flux and crystal structure of the first member ( n = 2) of a series of inverse Ruddlesden-Popper nitrides with a general formula of A n–1A' 2B nX 3n+1, where A = Li/Fe, A' = Te, B = N, and X = Ca. Single crystal X-ray diffraction analyses indicate the crystal with a composition of Ca 7(Li 0.32(1)Fe 0.68(1))Te 2N 2 and the tetragonal space group I4/mmm (a = 4.7884(1) Å, c = 25.3723(4) Å, Z = 2). The structure features alternately stacking NaCl-type A'X slabs and the perovskite-type ABX 3 slabs along the c axis. The Li/Fe atoms are located in cuboctahedral cavities surrounded by eight Ca 6N octahedra in the ABX 3 slab. As a result, this work demonstrates the viability of the Ca-rich flux as a suitable solvent for the exploration of new complex nitrides with interesting crystal structure and properties.
Authors:
ORCiD logo [1] ;  [2] ;  [2] ;  [2] ;  [2] ;  [3] ;  [2] ;  [2]
  1. Ames Lab. and Iowa State Univ., Ames, IA (United States); Chinese Academy of Sciences (CAS), Beijing (China)
  2. Ames Lab. and Iowa State Univ., Ames, IA (United States)
  3. Beijing Normal Univ., Beijing (People’s Republic of China)
Publication Date:
Report Number(s):
IS-J-9777
Journal ID: ISSN 0950-0839
Grant/Contract Number:
AC02-07CH11358
Type:
Accepted Manuscript
Journal Name:
Philosophical Magazine Letters
Additional Journal Information:
Journal Volume: 98; Journal Issue: 3; Journal ID: ISSN 0950-0839
Publisher:
Taylor & Francis
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; nitrides; crystal growth; flux; crystal structure; Ruddlesden-Popper phase
OSTI Identifier:
1478234

Wang, Gang, Manni, S., Lin, Qisheng, McVey, Patrick, Houk, Robert S., Wu, Liming, Bud’ko, Sergey L., and Canfield, Paul C.. An inverse Ruddlesden-Popper nitride Ca7(Li1–xFex)Te2N2 grown from Ca flux. United States: N. p., Web. doi:10.1080/09500839.2018.1497309.
Wang, Gang, Manni, S., Lin, Qisheng, McVey, Patrick, Houk, Robert S., Wu, Liming, Bud’ko, Sergey L., & Canfield, Paul C.. An inverse Ruddlesden-Popper nitride Ca7(Li1–xFex)Te2N2 grown from Ca flux. United States. doi:10.1080/09500839.2018.1497309.
Wang, Gang, Manni, S., Lin, Qisheng, McVey, Patrick, Houk, Robert S., Wu, Liming, Bud’ko, Sergey L., and Canfield, Paul C.. 2018. "An inverse Ruddlesden-Popper nitride Ca7(Li1–xFex)Te2N2 grown from Ca flux". United States. doi:10.1080/09500839.2018.1497309.
@article{osti_1478234,
title = {An inverse Ruddlesden-Popper nitride Ca7(Li1–xFex)Te2N2 grown from Ca flux},
author = {Wang, Gang and Manni, S. and Lin, Qisheng and McVey, Patrick and Houk, Robert S. and Wu, Liming and Bud’ko, Sergey L. and Canfield, Paul C.},
abstractNote = {Nitridoferrates containing monovalent iron ions are a class of materials of recent interest as potentially novel magnetic materials. Aiming at the exploration of nitridoferrates of calcium, we report the single crystal growth from Ca flux and crystal structure of the first member (n = 2) of a series of inverse Ruddlesden-Popper nitrides with a general formula of An–1A'2BnX3n+1, where A = Li/Fe, A' = Te, B = N, and X = Ca. Single crystal X-ray diffraction analyses indicate the crystal with a composition of Ca7(Li0.32(1)Fe0.68(1))Te2N2 and the tetragonal space group I4/mmm (a = 4.7884(1) Å, c = 25.3723(4) Å, Z = 2). The structure features alternately stacking NaCl-type A'X slabs and the perovskite-type ABX3 slabs along the c axis. The Li/Fe atoms are located in cuboctahedral cavities surrounded by eight Ca6N octahedra in the ABX3 slab. As a result, this work demonstrates the viability of the Ca-rich flux as a suitable solvent for the exploration of new complex nitrides with interesting crystal structure and properties.},
doi = {10.1080/09500839.2018.1497309},
journal = {Philosophical Magazine Letters},
number = 3,
volume = 98,
place = {United States},
year = {2018},
month = {6}
}

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