Evidence of a new ordered vacancy crystal structure in the compound Cu3In7Te12

Detalhes bibliográficos
Autor(a) principal: Arciniegas,Gerzon Eusebio Delgado
Data de Publicação: 2019
Outros Autores: Guedez,Edicson, Sanchéz-Pérez,Gerardo, Rincón,Carlos, Marroquin,Gustavo
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Matéria (Rio de Janeiro. Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1517-70762019000100354
Resumo: ABSTRACT The crystal structure of the ordered vacancy compound (OVC) Cu3In7Te12 is analyzed using powder X-ray diffraction data. It is found that this OVC crystallizes with a chalcopyrite-related structure, in the tetragonal space group P4 2c (Nº 112), with unit cell parameters and volume a = 6.1720(2) Å, c = 12.3597(8) Å, and V = 470.83(4) Å3. The Rietveld refinement of 28 instrumental and structural parameters led to Rp = 9.27 %, Rwp = 10.30 %, Rexp = 6.95% and S = 1.48, for 4501 step intensities and 130 independent reflections, respectively. This compound is isostructural with Cu3In7Se12, and has a defect adamantane structure.
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spelling Evidence of a new ordered vacancy crystal structure in the compound Cu3In7Te12semiconductorsordered vacancy compoundscrystal structureX-ray diffractionRietveldABSTRACT The crystal structure of the ordered vacancy compound (OVC) Cu3In7Te12 is analyzed using powder X-ray diffraction data. It is found that this OVC crystallizes with a chalcopyrite-related structure, in the tetragonal space group P4 2c (Nº 112), with unit cell parameters and volume a = 6.1720(2) Å, c = 12.3597(8) Å, and V = 470.83(4) Å3. The Rietveld refinement of 28 instrumental and structural parameters led to Rp = 9.27 %, Rwp = 10.30 %, Rexp = 6.95% and S = 1.48, for 4501 step intensities and 130 independent reflections, respectively. This compound is isostructural with Cu3In7Se12, and has a defect adamantane structure.Laboratório de Hidrogênio, Coppe - Universidade Federal do Rio de Janeiroem cooperação com a Associação Brasileira do Hidrogênio, ABH22019-01-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S1517-70762019000100354Matéria (Rio de Janeiro) v.24 n.1 2019reponame:Matéria (Rio de Janeiro. Online)instname:Matéria (Rio de Janeiro. Online)instacron:RLAM10.1590/s1517-707620190001.0643info:eu-repo/semantics/openAccessArciniegas,Gerzon Eusebio DelgadoGuedez,EdicsonSanchéz-Pérez,GerardoRincón,CarlosMarroquin,Gustavoeng2019-07-03T00:00:00Zoai:scielo:S1517-70762019000100354Revistahttp://www.materia.coppe.ufrj.br/https://old.scielo.br/oai/scielo-oai.php||materia@labh2.coppe.ufrj.br1517-70761517-7076opendoar:2019-07-03T00:00Matéria (Rio de Janeiro. Online) - Matéria (Rio de Janeiro. Online)false
dc.title.none.fl_str_mv Evidence of a new ordered vacancy crystal structure in the compound Cu3In7Te12
title Evidence of a new ordered vacancy crystal structure in the compound Cu3In7Te12
spellingShingle Evidence of a new ordered vacancy crystal structure in the compound Cu3In7Te12
Arciniegas,Gerzon Eusebio Delgado
semiconductors
ordered vacancy compounds
crystal structure
X-ray diffraction
Rietveld
title_short Evidence of a new ordered vacancy crystal structure in the compound Cu3In7Te12
title_full Evidence of a new ordered vacancy crystal structure in the compound Cu3In7Te12
title_fullStr Evidence of a new ordered vacancy crystal structure in the compound Cu3In7Te12
title_full_unstemmed Evidence of a new ordered vacancy crystal structure in the compound Cu3In7Te12
title_sort Evidence of a new ordered vacancy crystal structure in the compound Cu3In7Te12
author Arciniegas,Gerzon Eusebio Delgado
author_facet Arciniegas,Gerzon Eusebio Delgado
Guedez,Edicson
Sanchéz-Pérez,Gerardo
Rincón,Carlos
Marroquin,Gustavo
author_role author
author2 Guedez,Edicson
Sanchéz-Pérez,Gerardo
Rincón,Carlos
Marroquin,Gustavo
author2_role author
author
author
author
dc.contributor.author.fl_str_mv Arciniegas,Gerzon Eusebio Delgado
Guedez,Edicson
Sanchéz-Pérez,Gerardo
Rincón,Carlos
Marroquin,Gustavo
dc.subject.por.fl_str_mv semiconductors
ordered vacancy compounds
crystal structure
X-ray diffraction
Rietveld
topic semiconductors
ordered vacancy compounds
crystal structure
X-ray diffraction
Rietveld
description ABSTRACT The crystal structure of the ordered vacancy compound (OVC) Cu3In7Te12 is analyzed using powder X-ray diffraction data. It is found that this OVC crystallizes with a chalcopyrite-related structure, in the tetragonal space group P4 2c (Nº 112), with unit cell parameters and volume a = 6.1720(2) Å, c = 12.3597(8) Å, and V = 470.83(4) Å3. The Rietveld refinement of 28 instrumental and structural parameters led to Rp = 9.27 %, Rwp = 10.30 %, Rexp = 6.95% and S = 1.48, for 4501 step intensities and 130 independent reflections, respectively. This compound is isostructural with Cu3In7Se12, and has a defect adamantane structure.
publishDate 2019
dc.date.none.fl_str_mv 2019-01-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1517-70762019000100354
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1517-70762019000100354
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/s1517-707620190001.0643
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Laboratório de Hidrogênio, Coppe - Universidade Federal do Rio de Janeiro
em cooperação com a Associação Brasileira do Hidrogênio, ABH2
publisher.none.fl_str_mv Laboratório de Hidrogênio, Coppe - Universidade Federal do Rio de Janeiro
em cooperação com a Associação Brasileira do Hidrogênio, ABH2
dc.source.none.fl_str_mv Matéria (Rio de Janeiro) v.24 n.1 2019
reponame:Matéria (Rio de Janeiro. Online)
instname:Matéria (Rio de Janeiro. Online)
instacron:RLAM
instname_str Matéria (Rio de Janeiro. Online)
instacron_str RLAM
institution RLAM
reponame_str Matéria (Rio de Janeiro. Online)
collection Matéria (Rio de Janeiro. Online)
repository.name.fl_str_mv Matéria (Rio de Janeiro. Online) - Matéria (Rio de Janeiro. Online)
repository.mail.fl_str_mv ||materia@labh2.coppe.ufrj.br
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