Ammonium azide: A commented example of an Ab initio structure (Re-)determination from X-Ray powder diffraction
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| Format: | Artículo científico |
| Langue: | en |
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Sociedad Química de México
2002
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| _version_ | 1876430175555551232 |
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| author | Helio Amorim Salim de |
| author_facet | Helio Amorim Salim de |
| contents | Ammonium azide: A commented example of an Ab initio structure (Re-)determination from X-Ray powder diffraction Helio Amorim Salim de M. Amaral Jr. Rothier do Philip Pattison Isabel Ludka Pereira Julio Cesar Mendes Multidisciplinaria (Ciencias Naturales y Exactas) Ammonium azide ray diffraction structure determination The structure of ammonium azide (NH4 )N3was (re-)determinatedab initiofrom x-ray powder diffraction experiment usingsynchrotron radiation. We tried to detail and comment the differentsteps involved in the structure determination. The compound crystallizein the orthorhombic Pmna space group (no.53) with a= 8.937(1)Å, b= 3.8070(5) Å, c= 8.664(1) Å, V = 294.79(7) Å3; Z= 4. It waspossible to locate and refine the hydrogen coordinates, in two differentapproaches, and to establish the H-bonds. The final structuralparameters are in good agreement with previous results based onthree-dimensional neutron diffraction. 2002 artículo científico 1870-249X https://www.redalyc.org/articulo.oa?id=47546404 en http://www.redalyc.org/revista.oa?id=475 Journal of the Mexican Chemical Society application/pdf Sociedad Química de México Journal of the Mexican Chemical Society (México) Num.4 Vol.46 |
| format | Artículo científico |
| id | redalyc_47546404 |
| institution | Redalyc |
| language | en |
| publishDate | 2002 |
| publisher | Sociedad Química de México |
| spellingShingle | Ammonium azide: A commented example of an Ab initio structure (Re-)determination from X-Ray powder diffraction Helio Amorim Salim de Multidisciplinaria (Ciencias Naturales y Exactas) Ammonium azide ray diffraction structure determination Ammonium azide: A commented example of an Ab initio structure (Re-)determination from X-Ray powder diffraction Helio Amorim Salim de M. Amaral Jr. Rothier do Philip Pattison Isabel Ludka Pereira Julio Cesar Mendes Multidisciplinaria (Ciencias Naturales y Exactas) Ammonium azide ray diffraction structure determination The structure of ammonium azide (NH4 )N3was (re-)determinatedab initiofrom x-ray powder diffraction experiment usingsynchrotron radiation. We tried to detail and comment the differentsteps involved in the structure determination. The compound crystallizein the orthorhombic Pmna space group (no.53) with a= 8.937(1)Å, b= 3.8070(5) Å, c= 8.664(1) Å, V = 294.79(7) Å3; Z= 4. It waspossible to locate and refine the hydrogen coordinates, in two differentapproaches, and to establish the H-bonds. The final structuralparameters are in good agreement with previous results based onthree-dimensional neutron diffraction. 2002 artículo científico 1870-249X https://www.redalyc.org/articulo.oa?id=47546404 en http://www.redalyc.org/revista.oa?id=475 Journal of the Mexican Chemical Society application/pdf Sociedad Química de México Journal of the Mexican Chemical Society (México) Num.4 Vol.46 |
| title | Ammonium azide: A commented example of an Ab initio structure (Re-)determination from X-Ray powder diffraction |
| topic | Multidisciplinaria (Ciencias Naturales y Exactas) Ammonium azide ray diffraction structure determination |
| url | https://www.redalyc.org/articulo.oa?id=47546404 |