Preparation, Characterization and Crystal Structure of Lead(II) Tricyanomethanide

Deflon, Victor M.; Lopes, Cassia C. de Sousa; Bessler, Karl E.; Romualdo, Lincoln L.; Niquet, Elke

doi:10.1515/znb-2006-0107

Cited by 9 publications

(1 citation statement)

References 6 publications

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“…A total of 4946 Pb(C(CN) 3 ) 2 reflections measured diffractometrically by Deflon et al (2006) using Mo K resulted in 1445 independent I obs > 2(I obs ), leading on refinement to R = 0.0324 for the atomic coordinates in Table S24. The independent Pb atoms are displaced 0.27 and 0.39 Å , the C and N atoms between 0.24 and 1.28 Å , from supergroup symmetry.…”

Section: Pb(c(cn) 3 ) 2 [171702]mentioning

confidence: 99%

Inorganic structures in space groupP31m; coordinate analysis and systematic prediction of new ferroelectrics

Abrahams¹

2010

Acta Crystallogr Sect B

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The 62 entries listed in ICSD release 2009/1 under polar space group P31m correspond to 31 families of inorganic crystal structures, some with only one member. Coordinate analysis reveals, over a wide confidence range, 11 of these families as ferroelectric candidates. One includes the well known improper ferroelectric GASH (guanidinium aluminum sulfate hexahydrate), [(C(NH(2))(3))Al(SO(4))(2)(H(2)O)(6)], another the previously predicted ferroelectric CsNO(3) phase II. Those remaining include K(3)Nb(3)B(2)O(12), the minerals schairerite, galeite and lizardite 1T, LaNi(5)D(6) and gamma-CaNi(5)D(6.1), Ca(OCl)(2)Ca(OH)(2), [N(CH(3))(4)](2)Mo(3)S(13), Li(17)Ag(3)Sn(6) and Cs(3)As(5)O(9). Candidate selection is based upon detecting an approach by the reported atomic arrangement to the symmetry of a corresponding nonpolar supergroup. A further 13 families are typified by their reduced predictive properties, with four others likely to remain polar at higher temperatures and the remaining three noted as having a unit cell larger than reported or a misassigned space group. The primary sources of uncertainty in structurally based predictions of ferroelectricity are the reliability of the underlying structural determination and the upper limit assigned to the cationic displacement magnitudes required to achieve supergroup symmetry.

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Section: Pb(c(cn) 3 ) 2 [171702]mentioning

confidence: 99%

Inorganic structures in space groupP31m; coordinate analysis and systematic prediction of new ferroelectrics

Abrahams¹

2010

Acta Crystallogr Sect B

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Cationic Pb₂ Dumbbells Stabilized in the Highly Covalent Lead Nitridosilicate Pb₂Si₅N₈

et al. 2019

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Due to the weak oxidative force of N 2 ,n itrides are only typically formed with the less electronegative metals. Meeting this challenge,w eh ere present Pb 2 Si 5 N 8 ,t he first nitridosilicate containing highly electron-affine cations of am etal from the right side of the Zintl border.B yu sing advanced synchrotron X-ray diffraction, the crystal structure was determined from at iny single crystal of 1 3 3 mm 3 in size, revealing as ignificantly different bonding situation compared to all other nitridosilicates knowns of ar.I ndeed, DFT calculations confirm distinct amounts of covalency not only between Pb and Nbut also between formal Pb 2+ cations. Thus,u nprecedented cationic Pb 2 dumbbells with as tretching vibration at 117 cm À1 were found in Pb 2 Si 5 N 8 ,t he first representative of acrystallographically elucidated lead nitride, stabilized by high amounts of covalency.

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Cationic Pb₂ Dumbbells Stabilized in the Highly Covalent Lead Nitridosilicate Pb₂Si₅N₈

et al. 2019

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Due to the weak oxidative force of N2, nitrides are only typically formed with the less electronegative metals. Meeting this challenge, we here present Pb2Si5N8, the first nitridosilicate containing highly electron‐affine cations of a metal from the right side of the Zintl border. By using advanced synchrotron X‐ray diffraction, the crystal structure was determined from a tiny single crystal of 1×3×3 μm3 in size, revealing a significantly different bonding situation compared to all other nitridosilicates known so far. Indeed, DFT calculations confirm distinct amounts of covalency not only between Pb and N but also between formal Pb2+ cations. Thus, unprecedented cationic Pb2 dumbbells with a stretching vibration at 117 cm−1 were found in Pb2Si5N8, the first representative of a crystallographically elucidated lead nitride, stabilized by high amounts of covalency.

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Preparation, Characterization and Crystal Structure of Lead(II) Tricyanomethanide

Cited by 9 publications

References 6 publications

Inorganic structures in space groupP31m; coordinate analysis and systematic prediction of new ferroelectrics

Inorganic structures in space groupP31m; coordinate analysis and systematic prediction of new ferroelectrics

Cationic Pb₂ Dumbbells Stabilized in the Highly Covalent Lead Nitridosilicate Pb₂Si₅N₈

Cationic Pb₂ Dumbbells Stabilized in the Highly Covalent Lead Nitridosilicate Pb₂Si₅N₈

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Preparation, Characterization and Crystal Structure of Lead(II) Tricyanomethanide

Cited by 9 publications

References 6 publications

Inorganic structures in space groupP31m; coordinate analysis and systematic prediction of new ferroelectrics

Inorganic structures in space groupP31m; coordinate analysis and systematic prediction of new ferroelectrics

Cationic Pb2 Dumbbells Stabilized in the Highly Covalent Lead Nitridosilicate Pb2Si5N8

Cationic Pb2 Dumbbells Stabilized in the Highly Covalent Lead Nitridosilicate Pb2Si5N8

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Cationic Pb₂ Dumbbells Stabilized in the Highly Covalent Lead Nitridosilicate Pb₂Si₅N₈

Cationic Pb₂ Dumbbells Stabilized in the Highly Covalent Lead Nitridosilicate Pb₂Si₅N₈