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Single crystal neutron and magnetic measurements of Rb2Mn3(VO4)2CO3 and K2Co3(VO4)2CO3 with mixed honeycomb and triangular magnetic lattices

Journal Article · · Dalton Transactions
DOI:https://doi.org/10.1039/C9DT03389K· OSTI ID:1606707
 [1];  [2];  [1];  [3];  [2];  [2];  [2];  [3]
  1. Clemson Univ., SC (United States); Eastern Illinois Univ., Charleston, IL (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. Clemson Univ., SC (United States)
+ Show Author Affiliations
Two new alkali vanadate carbonates with divalent transition metals have been synthesized as large single crystals via a high-temperature (600 °C) hydrothermal technique. Compound I, Rb2Mn3(VO4)2CO3, crystallizes in the trigonal crystal system in the space group P[3 with combining macron]1c, and compound II, K2Co3(VO4)2CO3, crystallizes in the hexagonal space group P63/m. Both structures contain honeycomb layers and triangular lattices made from edge-sharing MO6 octahedra and MO5 trigonal bipyramids, respectively. The honeycomb and triangular layers are connected along the c-axis through tetrahedral [VO4] groups. The MO5 units are connected with each other by carbonate groups in the ab-plane by forming a triangular magnetic lattice. The difference in space groups between I and II was also investigated with Density Functional Theory (DFT) calculations. Single crystal magnetic characterization of I indicates three magnetic transitions at 77 K, 2.3 K, and 1.5 K. The corresponding magnetic structures for each magnetic transition of I were determined using single crystal neutron diffraction. At 77 K the compound orders in the MnO6-honeycomb layer in a Néel-type antiferromagnetic orientation while the MnO5 triangular lattice ordered below 2.3 K in a colinear ‘up–up–down’ fashion, followed by a planar ‘Y’ type magnetic structure. K2Co3(VO4)2CO3 (II) exhibits a canted antiferromagnetic ordering below TN = 8 K. Here, the Curie–Weiss fit (200–350 K) gives a Curie–Weiss temperature of –42 K suggesting a dominant antiferromagnetic coupling in the Co2+ magnetic sublattices.
Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
National Science Foundation; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
1606707
Journal Information:
Dalton Transactions, Journal Name: Dalton Transactions Journal Issue: 14 Vol. 49; ISSN 1477-9226; ISSN ICHBD9
Publisher:
Royal Society of ChemistryCopyright Statement
Country of Publication:
United States
Language:
English

References (40)

The Versatile Chemistry and Noncentrosymmetric Crystal Structures of Salt-Inclusion Vanadate Hybrids journal May 2008
The Versatile Chemistry and Noncentrosymmetric Crystal Structures of Salt-Inclusion Vanadate Hybrids journal May 2008
Materials Discovery by Flux Crystal Growth: Quaternary and Higher Order Oxides journal January 2012
Synthesis and Structure of Ba5(V2O7)2Cl2 journal October 2008
Growth of oxygen deficiency-free YVO4 single crystal by top-seeded solution growth technique journal November 1993
Synthesis of polyoxovanadates via “chimie douce” journal December 1998
Crystal growth, structure, and properties of manganese orthovanadate Mn3(VO4)2 journal January 2000
Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase journal April 2016
Synthesis and characterization of new fluoride-containing manganese vanadates A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F journal September 2016
Strontium manganese vanadates from hydrothermal brines: Synthesis and structure of Sr2Mn2(V3O10)(VO4), Sr3Mn(V2O7)2, and Sr2Mn(VO4)2(OH) journal November 2017
Polar Materials with Isolated V 4+ S = 1/2 Triangles: NaSr 2 V 3 O 3 (Ge 4 O 13 )Cl and KSr 2 V 3 O 3 (Ge 4 O 13 )Cl journal January 2017
Hydrothermal Synthesis and Characterization of Novel Brackebuschite-Type Transition Metal Vanadates: Ba 2 M(VO 4 ) 2 (OH), M = V 3+ , Mn 3+ , and Fe 3+ , with Interesting Jahn–Teller and Spin-Liquid Behavior journal July 2015
Honeycomb-like S = 5/2 Spin–Lattices in Manganese(II) Vanadates journal August 2016
Three Unique Barium Manganese Vanadates from High-Temperature Hydrothermal Brines journal March 2017
Syntheses and Characterization of a Family of Vanadate Compounds Ba 3 M(V 2 O 7 ) 2 (M = Co, Mn, Mg, or Zn) with an Edge-Shared [M 2 O 10 ] Dimer Structure journal March 2015
The First Vanadate–Carbonate, K 2 Mn 3 (VO 4 ) 2 (CO 3 ): Crystal Structure and Physical Properties journal January 2013
BaMn 9 [VO 4 ] 6 (OH) 2 : A Unique Canted Antiferromagnet with a Chiral “Paddle-Wheel” Structural Feature journal November 2014
M 3 (P 2 O 7 ) 2 2– -Type Open Frameworks Featuring [M 2 O 8 ] and [M 3 O 12 ] Multinuclear Transition-Metal Oxide Units. Serendipitous Synthesis of Six Polymorphic Salt-Inclusion Magnetic Solids: Na 2 M 3 (P 2 O 7 ) 2 ·ACl (M = Mn, Fe; A = Rb, Cs) and K 2 M 3 (P 2 O 7 ) 2 ·CsCl (M = Fe, Mn) journal November 2014
Structural absorption by barbule microstructures of super black bird of paradise feathers journal January 2018
Precision and efficiency in solid-state pseudopotential calculations journal December 2018
Frustrated magnetism in the S = 1 kagomé lattice BaNi3(OH)2(VO4)2 journal January 2012
Magnetic structures of the low temperature phase of Mn 3 (VO 4 ) 2 – towards understanding magnetic ordering between adjacent Kagomé layers journal January 2016
Hydrothermal synthesis as a route to mineralogically-inspired structures journal January 2016
Two halide-containing cesium manganese vanadates: synthesis, characterization, and magnetic properties journal January 2018
The magnetic order of a manganese vanadate system with two-dimensional striped triangular lattice journal October 2018
Linear response approach to the calculation of the effective interaction parameters in the LDA + U method journal January 2005
Formation enthalpies by mixing GGA and GGA + U calculations journal July 2011
Magnetic phase diagram of the antiferromagnetic cobalt tellurate Co 3 TeO 6 journal December 2011
Structural and magnetic characterization of the one-dimensional S = 5 / 2 antiferromagnetic chain system SrMn ( V O 4 ) ( OH ) journal June 2016
Single-ion properties of the S eff = 1 2 XY antiferromagnetic pyrochlores Na A ′ Co 2 F 7 ( A ′ = Ca 2 + ,   Sr 2 + ) journal April 2017
Magnetic properties of the triangular lattice magnets A 4 B ′ B 2 O 12 ( A = Ba , Sr, La; B ′ = Co , Ni, Mn; B = W , Re) journal May 2017
Magnetization Process and Collective Excitations in the S = 1 / 2 Triangular-Lattice Heisenberg Antiferromagnet Ba 3 CoSb 2 O 9 journal June 2013
Generalized Gradient Approximation Made Simple journal October 1996
Magnetically Driven Ferroelectric Order in Ni 3 V 2 O 8 journal August 2005
A short history of SHELX journal December 2007
Implementation of cross correlation for energy discrimination on the time-of-flight spectrometer CORELLI journal March 2018
Reproducibility in density functional theory calculations of solids journal March 2016
Supercell program: a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystals journal March 2016
Precision and efficiency in solid-state pseudopotential calculations text January 2018
The magnetic order of a manganese vanadate system with two-dimensional striped triangular lattice text January 2018

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