Crystal structure, vibrational and thermal behavior of Ba(NH4)[Co(CN)6]·4H2O: a new precursor for the synthesis of hexagonal BaCoO3

Autores
Gil, Diego Mauricio; Di Santo, Alfredo Alejandro; Pomiro, Fernando; Echeverría, Gustavo Alberto; Piro, Oscar Enrique; Carbonio, Raul Ernesto; Ben Altabef, Aída
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The crystal structure of Ba(NH4)[Co(CN)6]4H2O complex was determined by X-ray diffraction methods. It crystallizes in the hexagonal P63/m space group with a = b = 7.6882(2) Å, c = 14.4764(4) Å, and Z = 2 molecules per unit cell. The structure was solved from 475 reflections with I > 2r(I) and refined to an agreement R1-factor of 0.0214. The cobaltocyanide anion has an octahedral shape with its Co(III) ion sited at a crystallographic special position of point symmetry 3 (S6) [d(Co-C) = 1.886(3) Å and d(C–N) = 1.143(4) Å]. The barium ion is in a 9-fold environment at a crystal special position 6 (C3h), coordinated to cyanide Natoms of neighboring complexes [d(Ba–N) = 2.862(3) Å] and to one type of water molecule laying onto an m mirror plane [d(Ba–Ow) = 2.924(4) Å]. The ammonium ion and the other type of water molecule share four symmetry-related C3 lattice sites with equal occupancy. Under the P63 subspace group these four sites split into two independent pairs of C3 sites, one occupied by two symmetry-related ammonium ions, the other by two (disordered) water molecules. The complex was characterized by UV–Vis, IR and Raman spectroscopy and the thermal decomposition was studied to investigate the formation of BaCoO3d. This compound, in its hexagonal form, could be synthesized at temperatures as low as 675 C. At 750 C a new orthorhombic poly-type is obtained in a mixture with the hexagonal form which is associated with the appearance of oxygen vacancies. These temperatures of synthesis and reaction times are lower than those reported by ceramic and sol–gel synthesis. These soft treatments gave rise to homogeneous particles of small grain size.
Fil: Gil, Diego Mauricio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; Argentina
Fil: Di Santo, Alfredo Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; Argentina
Fil: Pomiro, Fernando. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Echeverría, Gustavo Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; Argentina
Fil: Piro, Oscar Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; Argentina
Fil: Carbonio, Raul Ernesto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Ben Altabef, Aída. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; Argentina
Materia
Crystal
Structure
Thermogravimmetry
Ba(Nh4)[Co(Cn)6]4h2o
Precursor
Synthesis
Bacoo3
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/30311
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/30311
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spelling Crystal structure, vibrational and thermal behavior of Ba(NH4)[Co(CN)6]·4H2O: a new precursor for the synthesis of hexagonal BaCoO3Gil, Diego MauricioDi Santo, Alfredo AlejandroPomiro, FernandoEcheverría, Gustavo AlbertoPiro, Oscar EnriqueCarbonio, Raul ErnestoBen Altabef, AídaCrystalStructureThermogravimmetryBa(Nh4)[Co(Cn)6]4h2oPrecursorSynthesisBacoo3https://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The crystal structure of Ba(NH4)[Co(CN)6]4H2O complex was determined by X-ray diffraction methods. It crystallizes in the hexagonal P63/m space group with a = b = 7.6882(2) Å, c = 14.4764(4) Å, and Z = 2 molecules per unit cell. The structure was solved from 475 reflections with I > 2r(I) and refined to an agreement R1-factor of 0.0214. The cobaltocyanide anion has an octahedral shape with its Co(III) ion sited at a crystallographic special position of point symmetry 3 (S6) [d(Co-C) = 1.886(3) Å and d(C–N) = 1.143(4) Å]. The barium ion is in a 9-fold environment at a crystal special position 6 (C3h), coordinated to cyanide Natoms of neighboring complexes [d(Ba–N) = 2.862(3) Å] and to one type of water molecule laying onto an m mirror plane [d(Ba–Ow) = 2.924(4) Å]. The ammonium ion and the other type of water molecule share four symmetry-related C3 lattice sites with equal occupancy. Under the P63 subspace group these four sites split into two independent pairs of C3 sites, one occupied by two symmetry-related ammonium ions, the other by two (disordered) water molecules. The complex was characterized by UV–Vis, IR and Raman spectroscopy and the thermal decomposition was studied to investigate the formation of BaCoO3d. This compound, in its hexagonal form, could be synthesized at temperatures as low as 675 C. At 750 C a new orthorhombic poly-type is obtained in a mixture with the hexagonal form which is associated with the appearance of oxygen vacancies. These temperatures of synthesis and reaction times are lower than those reported by ceramic and sol–gel synthesis. These soft treatments gave rise to homogeneous particles of small grain size.Fil: Gil, Diego Mauricio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; ArgentinaFil: Di Santo, Alfredo Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; ArgentinaFil: Pomiro, Fernando. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Echeverría, Gustavo Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; ArgentinaFil: Piro, Oscar Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; ArgentinaFil: Carbonio, Raul Ernesto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Ben Altabef, Aída. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; ArgentinaElsevier2014-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/30311Gil, Diego Mauricio; Di Santo, Alfredo Alejandro; Pomiro, Fernando; Echeverría, Gustavo Alberto; Piro, Oscar Enrique; et al.; Crystal structure, vibrational and thermal behavior of Ba(NH4)[Co(CN)6]·4H2O: a new precursor for the synthesis of hexagonal BaCoO3; Elsevier; Polyhedron; 73; 2-2014; 51-580277-5387CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.poly.2014.02.014info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0277538714000813info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T14:26:55Zoai:ri.conicet.gov.ar:11336/30311instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-15 14:26:55.803CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Crystal structure, vibrational and thermal behavior of Ba(NH4)[Co(CN)6]·4H2O: a new precursor for the synthesis of hexagonal BaCoO3
title Crystal structure, vibrational and thermal behavior of Ba(NH4)[Co(CN)6]·4H2O: a new precursor for the synthesis of hexagonal BaCoO3
spellingShingle Crystal structure, vibrational and thermal behavior of Ba(NH4)[Co(CN)6]·4H2O: a new precursor for the synthesis of hexagonal BaCoO3
Gil, Diego Mauricio
Crystal
Structure
Thermogravimmetry
Ba(Nh4)[Co(Cn)6]4h2o
Precursor
Synthesis
Bacoo3
title_short Crystal structure, vibrational and thermal behavior of Ba(NH4)[Co(CN)6]·4H2O: a new precursor for the synthesis of hexagonal BaCoO3
title_full Crystal structure, vibrational and thermal behavior of Ba(NH4)[Co(CN)6]·4H2O: a new precursor for the synthesis of hexagonal BaCoO3
title_fullStr Crystal structure, vibrational and thermal behavior of Ba(NH4)[Co(CN)6]·4H2O: a new precursor for the synthesis of hexagonal BaCoO3
title_full_unstemmed Crystal structure, vibrational and thermal behavior of Ba(NH4)[Co(CN)6]·4H2O: a new precursor for the synthesis of hexagonal BaCoO3
title_sort Crystal structure, vibrational and thermal behavior of Ba(NH4)[Co(CN)6]·4H2O: a new precursor for the synthesis of hexagonal BaCoO3
dc.creator.none.fl_str_mv Gil, Diego Mauricio
Di Santo, Alfredo Alejandro
Pomiro, Fernando
Echeverría, Gustavo Alberto
Piro, Oscar Enrique
Carbonio, Raul Ernesto
Ben Altabef, Aída
author Gil, Diego Mauricio
author_facet Gil, Diego Mauricio
Di Santo, Alfredo Alejandro
Pomiro, Fernando
Echeverría, Gustavo Alberto
Piro, Oscar Enrique
Carbonio, Raul Ernesto
Ben Altabef, Aída
author_role author
author2 Di Santo, Alfredo Alejandro
Pomiro, Fernando
Echeverría, Gustavo Alberto
Piro, Oscar Enrique
Carbonio, Raul Ernesto
Ben Altabef, Aída
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv Crystal
Structure
Thermogravimmetry
Ba(Nh4)[Co(Cn)6]4h2o
Precursor
Synthesis
Bacoo3
topic Crystal
Structure
Thermogravimmetry
Ba(Nh4)[Co(Cn)6]4h2o
Precursor
Synthesis
Bacoo3
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The crystal structure of Ba(NH4)[Co(CN)6]4H2O complex was determined by X-ray diffraction methods. It crystallizes in the hexagonal P63/m space group with a = b = 7.6882(2) Å, c = 14.4764(4) Å, and Z = 2 molecules per unit cell. The structure was solved from 475 reflections with I > 2r(I) and refined to an agreement R1-factor of 0.0214. The cobaltocyanide anion has an octahedral shape with its Co(III) ion sited at a crystallographic special position of point symmetry 3 (S6) [d(Co-C) = 1.886(3) Å and d(C–N) = 1.143(4) Å]. The barium ion is in a 9-fold environment at a crystal special position 6 (C3h), coordinated to cyanide Natoms of neighboring complexes [d(Ba–N) = 2.862(3) Å] and to one type of water molecule laying onto an m mirror plane [d(Ba–Ow) = 2.924(4) Å]. The ammonium ion and the other type of water molecule share four symmetry-related C3 lattice sites with equal occupancy. Under the P63 subspace group these four sites split into two independent pairs of C3 sites, one occupied by two symmetry-related ammonium ions, the other by two (disordered) water molecules. The complex was characterized by UV–Vis, IR and Raman spectroscopy and the thermal decomposition was studied to investigate the formation of BaCoO3d. This compound, in its hexagonal form, could be synthesized at temperatures as low as 675 C. At 750 C a new orthorhombic poly-type is obtained in a mixture with the hexagonal form which is associated with the appearance of oxygen vacancies. These temperatures of synthesis and reaction times are lower than those reported by ceramic and sol–gel synthesis. These soft treatments gave rise to homogeneous particles of small grain size.
Fil: Gil, Diego Mauricio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; Argentina
Fil: Di Santo, Alfredo Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; Argentina
Fil: Pomiro, Fernando. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Echeverría, Gustavo Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; Argentina
Fil: Piro, Oscar Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; Argentina
Fil: Carbonio, Raul Ernesto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Ben Altabef, Aída. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; Argentina
description The crystal structure of Ba(NH4)[Co(CN)6]4H2O complex was determined by X-ray diffraction methods. It crystallizes in the hexagonal P63/m space group with a = b = 7.6882(2) Å, c = 14.4764(4) Å, and Z = 2 molecules per unit cell. The structure was solved from 475 reflections with I > 2r(I) and refined to an agreement R1-factor of 0.0214. The cobaltocyanide anion has an octahedral shape with its Co(III) ion sited at a crystallographic special position of point symmetry 3 (S6) [d(Co-C) = 1.886(3) Å and d(C–N) = 1.143(4) Å]. The barium ion is in a 9-fold environment at a crystal special position 6 (C3h), coordinated to cyanide Natoms of neighboring complexes [d(Ba–N) = 2.862(3) Å] and to one type of water molecule laying onto an m mirror plane [d(Ba–Ow) = 2.924(4) Å]. The ammonium ion and the other type of water molecule share four symmetry-related C3 lattice sites with equal occupancy. Under the P63 subspace group these four sites split into two independent pairs of C3 sites, one occupied by two symmetry-related ammonium ions, the other by two (disordered) water molecules. The complex was characterized by UV–Vis, IR and Raman spectroscopy and the thermal decomposition was studied to investigate the formation of BaCoO3d. This compound, in its hexagonal form, could be synthesized at temperatures as low as 675 C. At 750 C a new orthorhombic poly-type is obtained in a mixture with the hexagonal form which is associated with the appearance of oxygen vacancies. These temperatures of synthesis and reaction times are lower than those reported by ceramic and sol–gel synthesis. These soft treatments gave rise to homogeneous particles of small grain size.
publishDate 2014
dc.date.none.fl_str_mv 2014-02
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/30311
Gil, Diego Mauricio; Di Santo, Alfredo Alejandro; Pomiro, Fernando; Echeverría, Gustavo Alberto; Piro, Oscar Enrique; et al.; Crystal structure, vibrational and thermal behavior of Ba(NH4)[Co(CN)6]·4H2O: a new precursor for the synthesis of hexagonal BaCoO3; Elsevier; Polyhedron; 73; 2-2014; 51-58
0277-5387
CONICET Digital
CONICET
url http://hdl.handle.net/11336/30311
identifier_str_mv Gil, Diego Mauricio; Di Santo, Alfredo Alejandro; Pomiro, Fernando; Echeverría, Gustavo Alberto; Piro, Oscar Enrique; et al.; Crystal structure, vibrational and thermal behavior of Ba(NH4)[Co(CN)6]·4H2O: a new precursor for the synthesis of hexagonal BaCoO3; Elsevier; Polyhedron; 73; 2-2014; 51-58
0277-5387
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.poly.2014.02.014
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0277538714000813
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
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dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
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reponame_str CONICET Digital (CONICET)
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instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.22299

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