Crystal chemistry of HgBa2CaCu2O8+δ and HgBa2Ca2Cu3O8+δ single-crystal x-ray diffraction results

L. W. Finger, R. M. Hazen, Robert T Downs, R. L. Meng, C. W. Chu

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Abstract

Crystal structures of HgBa2CaCu2O6+δ (Hg-1212) and HgBa2Ca2Cu3O8+δ (Hg-1223) have been determined on single crystals at room temperature conditions by X-ray diffraction techniques. Both tetragonal specimens are isomorphous with compounds in the Tl-Ba-Ca-Cu-O system. We observe excess oxygen in both samples on two sites near the z=0 plane: at ( 1 200) and close to ( 1 2, 0.4, 0) - but no oxygen at ( 1 2 1 20) as reported in earlier studies. Refined Hg occupancies for both samples indicate a substitution of Cu for Hg of more than ten percent. If the substitution of Cu for Hg and excess O at ( 1 200) are coupled, then the effect is to insert a perovskite-like six-coordinated copper site at (000). No evidence was found for a split atom at the barium sites in these compounds.

Original languageEnglish (US)
Pages (from-to)216-221
Number of pages6
JournalPhysica C: Superconductivity and its Applications
Volume226
Issue number3-4
DOIs
StatePublished - Jun 10 1994
Externally publishedYes

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Crystal chemistry
x ray diffraction
Substitution reactions
Diffraction
Single crystals
substitutes
chemistry
Oxygen
X rays
single crystals
oxygen
Barium
inserts
Perovskite
crystals
barium
Copper
Crystal structure
X ray diffraction
copper

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Crystal chemistry of HgBa2CaCu2O8+δ and HgBa2Ca2Cu3O8+δ single-crystal x-ray diffraction results. / Finger, L. W.; Hazen, R. M.; Downs, Robert T; Meng, R. L.; Chu, C. W.

In: Physica C: Superconductivity and its Applications, Vol. 226, No. 3-4, 10.06.1994, p. 216-221.

Research output: Contribution to journalArticle

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AU - Hazen, R. M.

AU - Downs, Robert T

AU - Meng, R. L.

AU - Chu, C. W.

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N2 - Crystal structures of HgBa2CaCu2O6+δ (Hg-1212) and HgBa2Ca2Cu3O8+δ (Hg-1223) have been determined on single crystals at room temperature conditions by X-ray diffraction techniques. Both tetragonal specimens are isomorphous with compounds in the Tl-Ba-Ca-Cu-O system. We observe excess oxygen in both samples on two sites near the z=0 plane: at ( 1 200) and close to ( 1 2, 0.4, 0) - but no oxygen at ( 1 2 1 20) as reported in earlier studies. Refined Hg occupancies for both samples indicate a substitution of Cu for Hg of more than ten percent. If the substitution of Cu for Hg and excess O at ( 1 200) are coupled, then the effect is to insert a perovskite-like six-coordinated copper site at (000). No evidence was found for a split atom at the barium sites in these compounds.

AB - Crystal structures of HgBa2CaCu2O6+δ (Hg-1212) and HgBa2Ca2Cu3O8+δ (Hg-1223) have been determined on single crystals at room temperature conditions by X-ray diffraction techniques. Both tetragonal specimens are isomorphous with compounds in the Tl-Ba-Ca-Cu-O system. We observe excess oxygen in both samples on two sites near the z=0 plane: at ( 1 200) and close to ( 1 2, 0.4, 0) - but no oxygen at ( 1 2 1 20) as reported in earlier studies. Refined Hg occupancies for both samples indicate a substitution of Cu for Hg of more than ten percent. If the substitution of Cu for Hg and excess O at ( 1 200) are coupled, then the effect is to insert a perovskite-like six-coordinated copper site at (000). No evidence was found for a split atom at the barium sites in these compounds.

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