Solving crystal structures in P1: an automated procedure for finding an allowed origin in the correct space group (Articolo in rivista)

Type

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

Label

• Solving crystal structures in P1: an automated procedure for finding an allowed origin in the correct space group (Articolo in rivista) (literal)

Anno

• 2000-01-01T00:00:00+01:00 (literal)

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

• 10.1107/S0021889800000157 (literal)

Alternative label

• BURLA MC 1; CARROZZINI B 2; CASCARANO GL 2; GIACOVAZZO C 2; POLIDORI G 1 (2000)
  Solving crystal structures in P1: an automated procedure for finding an allowed origin in the correct space group
  in Journal of applied crystallography
  (literal)

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

• BURLA MC 1; CARROZZINI B 2; CASCARANO GL 2; GIACOVAZZO C 2; POLIDORI G 1 (literal)

Pagina inizio

• 307 (literal)

Pagina fine

• 311 (literal)

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

• 33 (literal)

Rivista

• Journal of applied crystallography (Rivista)

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

• 5 (literal)

Note

• ISI Web of Science (WOS) (literal)

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

• 1) Dipartimento di Scienze della Terra, Univ. Perugia Piazza Universita, 06100 Perugia, Italy, 2) IRMEC - CNR c/o Dipartimento Geomineralogico, Univ. Bari, Campus Universitario, Via Orabona 4, 70125, Bari, Italy. (literal)

Titolo

• Solving crystal structures in P1: an automated procedure for finding an allowed origin in the correct space group (literal)

Abstract

• Crystal structure solution in P1 may be particularly suitable for complex crystal structures crystallizing in other space groups. However, additional efforts and human intervention are often necessary to locate correctly the structural model so obtained with respect to an allowed origin of the actual space group. An automatic procedure is described which is able to perform such a task, allowing the routine passage to the correct space group and the subsequent structure refinement. Some tests are presented proving the effectiveness of the procedure. (literal)

Prodotto di

• Institute of Crystallography (IC) (Istituto)

Autore CNR

• GIOVANNI LUCA CASCARANO (Unità di personale interno)
• CARMELO GIACOVAZZO (Unità di personale esterno)
• BENEDETTA CARROZZINI (Persona)

Insieme di parole chiave

• Keywords of "Solving crystal structures in P1: an automated procedure for finding an allowed origin in the correct space group" (Insieme di parole chiave)

Incoming links:

Autore CNR di

• BENEDETTA CARROZZINI (Persona)
• GIOVANNI LUCA CASCARANO (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 in P1: an automated procedure for finding an allowed origin in the correct space group" (Insieme di parole chiave)