Solving crystal structures from powder data - III: The use of the probability distributions for estimating the |F|'s (Articolo in rivista)

Type

• Articolo in rivista (Classe)
• Prodotto della ricerca (Classe)

Label

• Solving crystal structures from powder data - III: The use of the probability distributions for estimating the |F|'s (Articolo in rivista) (literal)

Anno

• 1997-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1107/S0021889896010382 (literal)

Alternative label

• CARROZZINI B 1; GIACOVAZZO C 1; GUAGLIARDI A 1; RIZZI R 1; BURLA MC 2 ; POLIDORI G 2 (1997)
  Solving crystal structures from powder data - III: The use of the probability distributions for estimating the |F|'s
  in Journal of applied crystallography
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• CARROZZINI B 1; GIACOVAZZO C 1; GUAGLIARDI A 1; RIZZI R 1; BURLA MC 2 ; POLIDORI G 2 (literal)

Pagina inizio

• 92 (literal)

Pagina fine

• 97 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 30 (literal)

Rivista

• Journal of applied crystallography (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali

• 6 (literal)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• 1 IRMEC - CNR c/o Dipartimento Geomineralogico - Univ. Bari 2) Dipartimento di Scienze della Terra - Univ. Perugia (literal)

Titolo

• Solving crystal structures from powder data - III: The use of the probability distributions for estimating the |F|'s (literal)

Abstract

• Decomposition programs of powder patterns play a basic role for crystal structure solution from powder data. Indeed, they provide the structure-factor ampli- tudes to which direct or Patterson methods can be applied. The decomposition process is not always satisfactory: large errors in the estimates frequently frustrate any attempt to solve crystal structures. This paper describes a probabilistic method that, integrated with the Le Bail algorithm, is able to improve amplitude estimates. The method uses triplet-invariant distribution functions, from which marginal distributions estimating structure-factor moduli were derived. (literal)

Prodotto di

• Institute of Crystallography (IC) (Istituto)

Autore CNR

• ANTONIETTA GUAGLIARDI (Unità di personale interno)
• BENEDETTA CARROZZINI (Persona)
• ROSANNA RIZZI (Persona)
• CARMELO GIACOVAZZO (Unità di personale esterno)

Insieme di parole chiave

• Keywords of "Solving crystal structures from powder data - III: The use of the probability distributions for estimating the |F|'s" (Insieme di parole chiave)

Incoming links:

Autore CNR di

• BENEDETTA CARROZZINI (Persona)
• ROSANNA RIZZI (Persona)
• ANTONIETTA GUAGLIARDI (Unità di personale interno)
• CARMELO GIACOVAZZO (Unità di personale esterno)

Prodotto

• Institute of Crystallography (IC) (Istituto)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Journal of applied crystallography (Rivista)

Insieme di parole chiave di

• Keywords of "Solving crystal structures from powder data - III: The use of the probability distributions for estimating the |F|'s" (Insieme di parole chiave)