Synthesis and structures of Sc7Cl12 and Zr6Cl15

J. D. Corbett, Kenneth R Poeppelmeier, R. L. Daake

Research output: Contribution to journalArticle

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Abstract

The indicated nine‐electron clusters of scandium and zirconium are formed in transport reactions at 880/900°C and 750/600°C, respectively. Sc7Cl12 (R¯3, a – 12.959(2), c – 8.825(2), Z – 3) can be described as c.c.p. Sc6Cl12 clusters with isolated metal atoms in all octahedral interstices or as Sc3+(Sc6Cl6iCl6i−a) 3− with Sc3+ in Cli octahedra between Sc6Cl 123− sheets. Metal‐metal distances within the cluster are 3.201−3.230(2) Å. Zr6Cl12iCl 6/3a crystallizes in the Ta6Cl15 structure (Ia3d, a – 21.141(3) Å, Z – 16) with d(ZrZr) = 3,199–3.214(4) Å. Apparent residual electron density is found in the center of both clusters, amounting to Z∼7.6 (Sc) and ∼6 (Zr) based of refinement of oxygen in these positions. The effect is thought to probably arise from errors in the diffraction data rather than partial incorporation of light nonmetal atoms such as oxygen or fluorine. Observed metal‐metal distances are compared with those in other clusters.

Original languageEnglish
Pages (from-to)51-59
Number of pages9
JournalZeitschrift fur Anorganische und Allgemeine Chemie
Volume491
Issue number1
DOIs
Publication statusPublished - 1982

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Scandium
Oxygen
Nonmetals
Atoms
Fluorine
Carrier concentration
Diffraction
Metals

ASJC Scopus subject areas

  • Inorganic Chemistry

Cite this

Synthesis and structures of Sc7Cl12 and Zr6Cl15. / Corbett, J. D.; Poeppelmeier, Kenneth R; Daake, R. L.

In: Zeitschrift fur Anorganische und Allgemeine Chemie, Vol. 491, No. 1, 1982, p. 51-59.

Research output: Contribution to journalArticle

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abstract = "The indicated nine‐electron clusters of scandium and zirconium are formed in transport reactions at 880/900°C and 750/600°C, respectively. Sc7Cl12 (R¯3, a – 12.959(2), c – 8.825(2), Z – 3) can be described as c.c.p. Sc6Cl12 clusters with isolated metal atoms in all octahedral interstices or as Sc3+(Sc6Cl6iCl6i−a) 3− with Sc3+ in Cli octahedra between Sc6Cl 123− sheets. Metal‐metal distances within the cluster are 3.201−3.230(2) {\AA}. Zr6Cl12iCl 6/3a crystallizes in the Ta6Cl15 structure (Ia3d, a – 21.141(3) {\AA}, Z – 16) with d(ZrZr) = 3,199–3.214(4) {\AA}. Apparent residual electron density is found in the center of both clusters, amounting to Z∼7.6 (Sc) and ∼6 (Zr) based of refinement of oxygen in these positions. The effect is thought to probably arise from errors in the diffraction data rather than partial incorporation of light nonmetal atoms such as oxygen or fluorine. Observed metal‐metal distances are compared with those in other clusters.",
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N2 - The indicated nine‐electron clusters of scandium and zirconium are formed in transport reactions at 880/900°C and 750/600°C, respectively. Sc7Cl12 (R¯3, a – 12.959(2), c – 8.825(2), Z – 3) can be described as c.c.p. Sc6Cl12 clusters with isolated metal atoms in all octahedral interstices or as Sc3+(Sc6Cl6iCl6i−a) 3− with Sc3+ in Cli octahedra between Sc6Cl 123− sheets. Metal‐metal distances within the cluster are 3.201−3.230(2) Å. Zr6Cl12iCl 6/3a crystallizes in the Ta6Cl15 structure (Ia3d, a – 21.141(3) Å, Z – 16) with d(ZrZr) = 3,199–3.214(4) Å. Apparent residual electron density is found in the center of both clusters, amounting to Z∼7.6 (Sc) and ∼6 (Zr) based of refinement of oxygen in these positions. The effect is thought to probably arise from errors in the diffraction data rather than partial incorporation of light nonmetal atoms such as oxygen or fluorine. Observed metal‐metal distances are compared with those in other clusters.

AB - The indicated nine‐electron clusters of scandium and zirconium are formed in transport reactions at 880/900°C and 750/600°C, respectively. Sc7Cl12 (R¯3, a – 12.959(2), c – 8.825(2), Z – 3) can be described as c.c.p. Sc6Cl12 clusters with isolated metal atoms in all octahedral interstices or as Sc3+(Sc6Cl6iCl6i−a) 3− with Sc3+ in Cli octahedra between Sc6Cl 123− sheets. Metal‐metal distances within the cluster are 3.201−3.230(2) Å. Zr6Cl12iCl 6/3a crystallizes in the Ta6Cl15 structure (Ia3d, a – 21.141(3) Å, Z – 16) with d(ZrZr) = 3,199–3.214(4) Å. Apparent residual electron density is found in the center of both clusters, amounting to Z∼7.6 (Sc) and ∼6 (Zr) based of refinement of oxygen in these positions. The effect is thought to probably arise from errors in the diffraction data rather than partial incorporation of light nonmetal atoms such as oxygen or fluorine. Observed metal‐metal distances are compared with those in other clusters.

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