Crystal structure resolution of an insulator due to the cooperative Jahn–Teller effect through Bader's theory: the challenging case of cobaltite oxide Y114

2018 ◽  
Vol 47 (15) ◽  
pp. 5483-5491
Author(s):  
Christian Tantardini ◽  
Enrico Benassi
Keyword(s):  
Crystal Structure ◽  
Magnetic Properties ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect

Cobaltite YBaCo4O7, abbreviated as Y114, is one of the most thoroughly investigated perovskites, owing largely to its interesting magnetic properties.

Local and Cooperative Jahn–Teller Effect and Resultant Magnetic Properties of M2AgF4 (M = Na–Cs) Phases

2016 ◽  
Vol 55 (21) ◽  
pp. 11479-11489 ◽  
Author(s):  
Dominik Kurzydłowski ◽  
Tomasz Jaroń ◽  
Andrew Ozarowski ◽  
Stephen Hill ◽  
Zvonko Jagličić ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect

Magnetic Properties and Charge Transfer Transition Induced by Jahn–Teller Effect in FeGa2O4 Nanoparticles

2016 ◽  
Vol 120 (44) ◽  
pp. 25596-25603 ◽  
Author(s):  
I. S. Lyubutin ◽  
S. S. Starchikov ◽  
N. E. Gervits ◽  
Chun-Rong Lin ◽  
Yaw-Teng Tseng ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Charge Transfer ◽  
Teller Effect ◽  
Charge Transfer Transition ◽  
Jahn Teller ◽  
Jahn Teller Effect

Preparation and Crystal Structure of a New Lithium Vanadium Fluoride Li2VF6 with Trirutile-type Structure

2013 ◽  
Vol 68 (2) ◽  
pp. 121-126 ◽  
Author(s):  
Suliman Nakhal ◽  
Dominik Weber ◽  
Martin Lerch
Keyword(s):  
Crystal Structure ◽  
Lithium Fluoride ◽  
Lattice Parameters ◽  
Type Structure ◽  
Teller Effect ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Jahn Teller ◽  
Jahn Teller Effect

A new lithium vanadium fluoride Li2VF6 was prepared by reacting lithium fluoride LiF with vanadium tetrafluoride VF4 in a monel capsule at 500 °C. The crystal structure has been determined by means of powder X-ray diffraction. Trirutile-type dilithium hexafluorovanadate(IV) crystallizes in the tetragonal space group P42/mnmwith lattice parameters a=459.99(1), b=459:99(1), c=896.64(2) pm. The presence of a Jahn-Teller effect is discussed.

Neue Mangan(III)-Fluoridhydrate: Na[MnF4(H2O)2] und Na[MnF4(H2O)2] · H2O / New Fluoride Hydrates of Manganese(III): Na[MnF4(H2O)2] and Na[MnF4(H2O)2] · H2O

1990 ◽  
Vol 45 (5) ◽  
pp. 593-597 ◽  
Author(s):  
Werner Massa ◽  
Roland E. Schmidt
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Teller Effect ◽  
Crystal Structure Determination ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Jahn Teller ◽  
Jahn Teller Effect

Crystalline Na[MnF4(H2O)2] and Na[MnF4(H2O)2] · H2O have been precipitated from aqueous HF solution of MnO(OH) and NaF. The crystal structure determination of the trihydrate (space group C 2/c, Z = 8, α = 1638.1(2), b = 667.6(2), c = 1130.3(1) pm, β = 103.78(1)°; R/wR = 0.038/0.033 for 1696 independent reflections) showed the presence of isolated octahedral trans-[MnF4(H2O)2]- anions with an elongation of the H2O-Mn—OH2 axis due to the Jahn-Teller effect (Mn 1-O 224.6(2), Mn 1—F(mean) 183.7(1); Mn2-0 218.3(2), Mn2— F(mean) 184.7(2) pm). As a consequence, an unusual H-bond geometry is observed with a tetrahedral (instead of trigonal) environment of the coordinated O atoms. Na[MnF4(H2O)2] is monoclinic (space group C 2/m, C 2 or Cm, a = 816.6(4), b = 677.1(1), c = 496.8(2), β = 114.45(3)°), the crystals show twinning and 1-dimensional disorder.

Crystal Structure of a New Form of Cu3V2O8

1972 ◽  
Vol 50 (24) ◽  
pp. 3944-3949 ◽  
Author(s):  
Robert D. Shannon ◽  
Crispin Calvo
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Unit Cell ◽  
Teller Effect ◽  
Space Group ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
New Form

A new form of Cu3V2O8 was prepared at 30 kbar and 900 °C. The unit cell has dimensions a = 6.2493(9), b = 7.9936(9), c = 6.3776(10) Å, β = 111.49(1)°, and the space group is P2/c. The crystal structure, refined by least-squares to a final R = 0.054, using 848 reflections, is similar to that of Mg3V2O8. Chains of edge-shared M2 octahedra run along the c axis at about y = ± 1/4 with M1 octahedra sharing two edges with the M2 octahedra. These octahedral networks at about y = ± 1/4 are linked by corner-shared V–O tetrahedra. The distortion from the Mg3V2O8 structure can be explained on the basis of the Jahn–Teller effect in which four of the octahedral Cu—O distances shorten to 1.93–1.99 Å and two Cu—O distances lengthen to 2.3–2.6 Å.

Magnetic properties of complex d 1 and d 5 ions: crystal field model and Jahn–Teller effect

Polyhedron ◽  
2003 ◽  
Vol 22 (14-17) ◽  
pp. 2545-2556 ◽  
Author(s):  
Kim R. Dunbar ◽  
Eric J. Schelter ◽  
Boris S. Tsukerblat ◽  
Sergei M. Ostrovsky ◽  
Vadim Yu. Mirovitsky ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Crystal Field ◽  
Field Model ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect

Crystal structure and EPR studies of (cinchonineH2)2(CdCl4)(Cd/CuCl4) crystals with thermochromic and Jahn–Teller effect

2005 ◽  
Vol 751 (1-3) ◽  
pp. 109-120 ◽  
Author(s):  
A. Wesełucha-Birczyńska ◽  
B.J. Oleksyn ◽  
J. Śliwiński ◽  
J. Goslar ◽  
W. Hilczer ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect
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