The crystal structure of PuNi<sub>3</sub>and CeNi<sub>3</sub>

Cromer, D. T.; Olsen, C.E.

doi:10.1107/s0365110x59002006

Cited by 136 publications

(46 citation statements)

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“…I/2/1/3, Z=9 (triple hex. cell) Cromer & Olsen (1959) Sands, Zalkin & Krikorian (1959) 77"8% X Ce2NiT:…”

Section: Previous Resultsmentioning

confidence: 99%

Structure block stacking in intermetallic compounds. I. The rhombohedral-hexagonal M _n+1 X _5n−1 and the monoclinic-hexagonal-trigonal-orthorhombic M _n+1 X _5n+2 structure series

Parthé¹,

Lemaire²

1975

Acta Crystallogr Sect B

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In binary systems containing rare-earth elements (M) and transition elements (X) several intermetallic compounds with composition between MX2 and MX5 are formed which, according to their mechanical properties, fall into two groups. The brittle alloys are hexagonal or rhombohedral and belong to the M,+IXs,-~ structure series. This series may be considered to be formed by stacking M2X4 blocks (characteristic of Laves phases) with a varying number of MXs blocks (characteristic of the Haucke phase CaCus). The soft alloys with pronounced cleavage have monoclinic symmetry. They belong to a new M, + 1X5, + 2 structure series which contains a new structure block, M2X7, found in the ZrzNi7 structure. A consideration of the intraplanar translation vectors and of the possible rotations of the M2X7 blocks shows that this structure series has three other subseries apart from the monoclinic Zr2Ni7 subseries, these being hexagonal, trigonal and orthorhombic. Point positions for these hypothetical structures are given together with a ready method of recognizing their presence from precession photographs.

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“…I/2/1/3, Z=9 (triple hex. cell) Cromer & Olsen (1959) Sands, Zalkin & Krikorian (1959) 77"8% X Ce2NiT:…”

Section: Previous Resultsmentioning

confidence: 99%

Structure block stacking in intermetallic compounds. I. The rhombohedral-hexagonal M _n+1 X _5n−1 and the monoclinic-hexagonal-trigonal-orthorhombic M _n+1 X _5n+2 structure series

Parthé¹,

Lemaire²

1975

Acta Crystallogr Sect B

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“…Applying such a clustering analysis on all binary phases [63][64][65][66][67][68][69][70][71][72][73][74][75][76][77][78][79][80] in the Ce-Ni-Si system yields four clusters:…”

Section: Defining the Reference Database: Elimination Of Redundant Stmentioning

confidence: 99%

PRINCEPS: A Computer-Based Approach to the Structural Description and Recognition of Trends within Structural Databases, and Its Application to the Ce-Ni-Si System

Guo

Fredrickson

2016

Crystals

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Abstract:Intermetallic crystal structures offer an enormous structural diversity, with an endless array of structural motifs whose connection to stability and physical properties are often mysterious. Making sense of the often complex crystal structures that arise here, developing a clear structural description, and identifying connections to other phases can be laborious and require an encyclopedic knowledge of structure types. In this Article, we present PRINCEPS, an algorithm based on a new coordination environment projection scheme that facilitates the structural analysis and comparison of such crystal structures. We demonstrate the potential of this approach by applying it to the complex Ce-Ni-Si ternary system, whose 17 binary and 21 ternary phases would present a daunting challenge to one seeking to understand the system by manual inspection (but has nonetheless been well-described through the heroic efforts of previous researchers). With the help of PRINCEPS, most of the ternary phases in this system can be rationalized as intergrowths of simple structural fragments, and grouped into a handful of structural series (with some outliers). These results illustrate how the PRINCEPS approach can be used to organize a vast collection of crystal structures into structurally meaningful families, and guide the description of complex atomic arrangements.

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“…For the PuNi 3 structure type, see : Cromer & Olsen (1959). For previous powder diffraction studies of the title compoud, see: Paccard & Pauthenet (1967); Lemaire & Paccard (1969); Virkar & Raman (1969); Buschow & van der Goot (1970); Yakinthos & Paccard (1972); Tsai et al (1974).…”

Section: Related Literaturementioning

confidence: 99%

Redetermination of dysprosium trinickel from single-crystal X-ray data

et al. 2012

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The crystal structure of the title compound, DyNi 3 , was redetermined from single-crystal X-ray diffraction data. In comparison with previous studies based on powder X-ray diffraction data [Lemaire & Paccard (1969). Bull. Soc. Fr. Minéral. Cristallogr. 92, 9-16; Tsai et al. (1974). J. Appl. Phys. 45, 3582-3586], the present redetermination revealed refined coordinates and anisotropic displacement parameters for all atoms. The crystal structure of DyNi 3 adopts the PuNi 3 structure type and can be derived from the CaCu 5 structure type as an intergrowth structure. The asymmetric unit contains two Dy sites (site symmetries 3m and 3m) and three Ni sites (m, 3m and 3m). The two different coordination polyhedra of Dy are a Frank-Kasper polyhedron formed by four Dy and 12 Ni atoms and a pseudo-Frank-Kasper polyhedron formed by two Dy and 18 Ni atoms. The three different coordination polyhedra of Ni are Frank-Kasper icosahedra formed by five Dy and seven Ni atoms, three Dy and nine Ni atoms, and six Dy and six Ni atoms.

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The crystal structure of PuNi₃and CeNi₃

Cited by 136 publications

References 1 publication

Structure block stacking in intermetallic compounds. I. The rhombohedral-hexagonal M _n+1 X _5n−1 and the monoclinic-hexagonal-trigonal-orthorhombic M _n+1 X _5n+2 structure series

Structure block stacking in intermetallic compounds. I. The rhombohedral-hexagonal M _n+1 X _5n−1 and the monoclinic-hexagonal-trigonal-orthorhombic M _n+1 X _5n+2 structure series

PRINCEPS: A Computer-Based Approach to the Structural Description and Recognition of Trends within Structural Databases, and Its Application to the Ce-Ni-Si System

Redetermination of dysprosium trinickel from single-crystal X-ray data

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The crystal structure of PuNi3and CeNi3

Cited by 136 publications

References 1 publication

Structure block stacking in intermetallic compounds. I. The rhombohedral-hexagonal M n+1 X 5n−1 and the monoclinic-hexagonal-trigonal-orthorhombic M n+1 X 5n+2 structure series

Structure block stacking in intermetallic compounds. I. The rhombohedral-hexagonal M n+1 X 5n−1 and the monoclinic-hexagonal-trigonal-orthorhombic M n+1 X 5n+2 structure series

PRINCEPS: A Computer-Based Approach to the Structural Description and Recognition of Trends within Structural Databases, and Its Application to the Ce-Ni-Si System

Redetermination of dysprosium trinickel from single-crystal X-ray data

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The crystal structure of PuNi₃and CeNi₃

Structure block stacking in intermetallic compounds. I. The rhombohedral-hexagonal M _n+1 X _5n−1 and the monoclinic-hexagonal-trigonal-orthorhombic M _n+1 X _5n+2 structure series

Structure block stacking in intermetallic compounds. I. The rhombohedral-hexagonal M _n+1 X _5n−1 and the monoclinic-hexagonal-trigonal-orthorhombic M _n+1 X _5n+2 structure series