Abstract
The ternary germanide Tb4FeGe8 was obtained from Ga flux reactions. The crystal structure studied with single-crystal X-ray diffraction revealed the existence of an orthorhombic average substructure (Cmcm, Z = 1) with cell parameters a = 4.1118(14) Å, b = 15.844(5) Å, and c = 3.9885(15) A. The refinement [I > 2σ(I)] converged to final residuals R1/wR2 = 0.0363/0.0893. The average structure (CeNiSi 2-type) consists of a 3D [Fe1/4Ge2] framework where Ge atoms form a square net and Fe atoms reside alternatively above and below it with only 1/4 occupation probability. X-ray and electron diffraction studies showed a modulation in the Ge net. The modulated structure was refined based on a 4-fold monoclinic supercell (P21/n) with parameters a = 5.7315(11) Å, b = 15.842(3) Å, c = 11.438(2) Å, and β = 91.724(4)° with R1/WR2 = 0.0643/0.1735 and uncovered a severe distortion of the Ge square net. The Ge atoms are displaced to form an array of cis-trans chains. The Ge-Ge distances within these chains are distinctively bonding, whereas those between the chains are nonbonding. Results of the electronic structure calculations and magnetic measurements are also reported. The structural distortions found in Tb4FeGe8 cast a doubt onto the correctness of many of the reported REM 1-xGe2 disordered compounds and call for reinvestigation.
| Original language | English |
|---|---|
| Pages (from-to) | 2177-2188 |
| Number of pages | 12 |
| Journal | Inorganic Chemistry |
| Volume | 44 |
| Issue number | 7 |
| DOIs | |
| Publication status | Published - Apr 7 2005 |
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ASJC Scopus subject areas
- Inorganic Chemistry
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Tb4FeGe8 grown in liquid gallium : Trans-cis chains from the distortion of a planar Ge square net. / Zhuravleva, Marina A.; Bilc, Daniel; Pcionek, Robert J.; Mahanti, S. D.; Kanatzidis, Mercouri G.
In: Inorganic Chemistry, Vol. 44, No. 7, 07.04.2005, p. 2177-2188.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Tb4FeGe8 grown in liquid gallium
T2 - Trans-cis chains from the distortion of a planar Ge square net
AU - Zhuravleva, Marina A.
AU - Bilc, Daniel
AU - Pcionek, Robert J.
AU - Mahanti, S. D.
AU - Kanatzidis, Mercouri G
PY - 2005/4/7
Y1 - 2005/4/7
N2 - The ternary germanide Tb4FeGe8 was obtained from Ga flux reactions. The crystal structure studied with single-crystal X-ray diffraction revealed the existence of an orthorhombic average substructure (Cmcm, Z = 1) with cell parameters a = 4.1118(14) Å, b = 15.844(5) Å, and c = 3.9885(15) A. The refinement [I > 2σ(I)] converged to final residuals R1/wR2 = 0.0363/0.0893. The average structure (CeNiSi 2-type) consists of a 3D [Fe1/4Ge2] framework where Ge atoms form a square net and Fe atoms reside alternatively above and below it with only 1/4 occupation probability. X-ray and electron diffraction studies showed a modulation in the Ge net. The modulated structure was refined based on a 4-fold monoclinic supercell (P21/n) with parameters a = 5.7315(11) Å, b = 15.842(3) Å, c = 11.438(2) Å, and β = 91.724(4)° with R1/WR2 = 0.0643/0.1735 and uncovered a severe distortion of the Ge square net. The Ge atoms are displaced to form an array of cis-trans chains. The Ge-Ge distances within these chains are distinctively bonding, whereas those between the chains are nonbonding. Results of the electronic structure calculations and magnetic measurements are also reported. The structural distortions found in Tb4FeGe8 cast a doubt onto the correctness of many of the reported REM 1-xGe2 disordered compounds and call for reinvestigation.
AB - The ternary germanide Tb4FeGe8 was obtained from Ga flux reactions. The crystal structure studied with single-crystal X-ray diffraction revealed the existence of an orthorhombic average substructure (Cmcm, Z = 1) with cell parameters a = 4.1118(14) Å, b = 15.844(5) Å, and c = 3.9885(15) A. The refinement [I > 2σ(I)] converged to final residuals R1/wR2 = 0.0363/0.0893. The average structure (CeNiSi 2-type) consists of a 3D [Fe1/4Ge2] framework where Ge atoms form a square net and Fe atoms reside alternatively above and below it with only 1/4 occupation probability. X-ray and electron diffraction studies showed a modulation in the Ge net. The modulated structure was refined based on a 4-fold monoclinic supercell (P21/n) with parameters a = 5.7315(11) Å, b = 15.842(3) Å, c = 11.438(2) Å, and β = 91.724(4)° with R1/WR2 = 0.0643/0.1735 and uncovered a severe distortion of the Ge square net. The Ge atoms are displaced to form an array of cis-trans chains. The Ge-Ge distances within these chains are distinctively bonding, whereas those between the chains are nonbonding. Results of the electronic structure calculations and magnetic measurements are also reported. The structural distortions found in Tb4FeGe8 cast a doubt onto the correctness of many of the reported REM 1-xGe2 disordered compounds and call for reinvestigation.
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U2 - 10.1021/ic0487878
DO - 10.1021/ic0487878
M3 - Article
VL - 44
SP - 2177
EP - 2188
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 7
ER -