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Buffering Octahedra in Mo 4 Zr 9 P: Intergrowth as a Solution to the Frustrated Packing of Tricapped Trigonal Prisms and Icosahedra

Journal Article · · Inorganic Chemistry

Not provided.

Research Organization:
Univ. of Wisconsin, Madison, WI (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0018938
OSTI ID:
1977886
Journal Information:
Inorganic Chemistry, Vol. 61, Issue 21; ISSN 0020-1669
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English

References (66)

XXXV. The Crystal Structure of Fe2P, Fe2N, Fe3N and FeB journal January 1930
Experimental Observation and Confirmation of Icosahedral W@Au12 and Mo@Au12 Molecules journal December 2002
Lu8Te and Lu7Te. Novel Substitutional Derivatives of Lutetium Metal journal June 2003
A Nonacoordinated Bridging Selenide in a Tricapped Trigonal Prismatic Geometry Identified in Undecanuclear Copper Clusters:  Syntheses, Structures, and DFT Calculations journal July 2004
Nanosized (μ 12 -Pt)Pd 164- x Pt x (CO) 72 (PPh 3 ) 20 ( x ≈ 7) Containing Pt-Centered Four-Shell 165-Atom Pd−Pt Core with Unprecedented Intershell Bridging Carbonyl Ligands:  Comparative Analysis of Icosahedral Shell-Growth Patterns with Geometrically Related Pd 145 (CO) x (PEt 3 ) 30 ( x ≈ 60) Containing Capped Three-Shell Pd 145 Core journal September 2007
A μ 9 -Iodide in a Tricapped Trigonal-Prismatic Geometry journal April 2012
Metallic Phase with Long-Range Orientational Order and No Translational Symmetry journal November 1984
Short-range order in theoretical models of binary metallic glass alloys journal February 1981
Atomic packing and short-to-medium-range order in metallic glasses journal January 2006
Candidate Atomic Cluster Configurations in Metallic Glass Structures journal January 2006
The basic polyhedral clusters, the optimum glass formers, and the composition-structure-property (glass-forming ability) correlation in Cu–Zr metallic glasses journal March 2010
Atomic-level structure and structure–property relationship in metallic glasses journal May 2011
Geometric Frustration of Icosahedron in Metallic Glasses journal July 2013
Order, frustration, and defects in liquids and glasses journal November 1983
Local Topology vs. Atomic-Level Stresses as a Measure of Disorder: Correlating Structural Indicators for Metallic Glasses journal October 2012
Neue K-Boride und verwandte Phasen (Re3B-Typ, aufgef�llt) journal January 1973
Crystal Structure Refinement of the kappa-Phase in the Hf--Mo--P System. journal January 1982
The crystal chemistry of kappa-phases journal October 1987
Yb9+xCuMg4–x (x = 0.034): A κ-Phase Formed by Lanthanoids journal July 2016
Rows of corner- and face-sharing Mg4 tetrahedra arranged as hexagonal rod packing in the hexagonal Laves phases REMg2 and the rare earth-rich phases RE 9CoMg4 (RE=Y, Dy-Tm, Lu) journal February 2018
Cd3 and Cd4 clusters in the rare earth (RE) metal-rich phases RE10OsCd3 and RE4OsCd journal May 2019
New Intermetallic Compounds Nd4Co2Mg3 and Sm4Co2Mg3 – an Intergrowth of AlB2 and CsCl Related Slabs journal September 2006
Law and Disorder: Special Stacking Units—Building the Intergrowth Ce 6 Co 5 Ge 16 journal April 2019
Electron-Deficient Eu6.5Gd0.5Ge6 Intermetallic: A Layered Intergrowth Phase of the Gd5Si4- and FeB-Type Structures journal February 2012
On the Functionality of Complex Intermetallics: Frustration, Chemical Pressure Relief, and Potential Rattling Atoms in Y 11 Ni 60 C 6 journal September 2016
Intermetallic Reactivity: Ca 3 Cu 7.8 Al 26.2 and the Role of Electronegativity in the Stabilization of Modular Structures journal March 2020
Systems Zirconium-Molybdenum and Zirconium-Wolfram journal January 1953
Crystal Structure Refinements of the Ti3P-Type Phosphides Nb3P and Zr3P. journal January 1966
Interaction between components in the systems Zr–Mo–P and Hf–Mo–P journal June 1999
Electronic Packing Frustration in Complex Intermetallic Structures: The Role of Chemical Pressure in Ca 2 Ag 7 journal July 2011
DFT-Chemical Pressure Analysis: Visualizing the Role of Atomic Size in Shaping the Structures of Inorganic Materials journal March 2012
First-Principles Elucidation of Atomic Size Effects Using DFT-Chemical Pressure Analysis: Origins of Ca 36 Sn 23 ’s Long-Period Superstructure journal June 2013
Progress in Visualizing Atomic Size Effects with DFT-Chemical Pressure Analysis: From Isolated Atoms to Trends in AB 5 Intermetallics journal June 2014
Chemical Pressure Schemes for the Prediction of Soft Phonon Modes: A Chemist’s Guide to the Vibrations of Solid State Materials journal April 2016
Discerning Chemical Pressure amidst Weak Potentials: Vibrational Modes and Dumbbell/Atom Substitution in Intermetallic Aluminides journal September 2018
Mn 39 Si 9 N x : Epitaxial Stabilization as a Pathway to the Formation of Intermetallic Nitrides journal April 2020
Substitution Patterns Understood through Chemical Pressure Analysis: Atom/Dumbbell and Ru/Co Ordering in Derivatives of YCo 5 journal March 2017
Epitaxial Stabilization between Intermetallic and Carbide Domains in the Structures of Mn 16 SiC 4 and Mn 17 Si 2 C 4 journal December 2015
Atomic level stresses journal August 2011
The refinement of the Co2Al5 structures journal May 1961
Research on the alloys of noble metals with the more electropositive elements journal December 1959
Tutorial on Chemical Pressure Analysis: How Atomic Packing Drives Laves/Zintl Intergrowth in K3Au5Tl journal July 2021
A brief introduction to the ABINIT software package journal January 2005
ABINIT: First-principles approach to material and nanosystem properties journal December 2009
Recent developments in the ABINIT software package journal August 2016
The Abinitproject: Impact, environment and recent developments journal March 2020
Relativistic separable dual-space Gaussian pseudopotentials from H to Rn journal August 1998
Accurate and efficient algorithm for Bader charge integration journal February 2011
A fast and robust algorithm for Bader decomposition of charge density journal June 2006
A grid-based Bader analysis algorithm without lattice bias journal January 2009
Improved grid-based algorithm for Bader charge allocation journal January 2007
Generating relativistic pseudo-potentials with explicit incorporation of semi-core states using APE, the Atomic Pseudo-potentials Engine journal April 2008
Ab initio calculation of phonon dispersions in semiconductors journal March 1991
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
Applied Topological Analysis of Crystal Structures with the Program Package ToposPro journal May 2014
The crystallographic information file (CIF): a new standard archive file for crystallography journal November 1991
A method for topological analysis of rod packings journal June 2016
New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design journal May 2002
Structure and magnetic properties of RE4CoCd and RE4RhCd (RE = Tb, Dy, Ho) journal February 2007
Ternary Magnesium CompoundsRE23Ni7Mg4(RE= La, Ce, Pr, Nd, Sm) with Pr23Ir7Mg4Type Structure journal October 2008
Structure and magnetism of Gd2Co2Ga, Gd2Co2Al and Gd14Co3In2.7 journal October 2002
Complex cubic A6B compounds. II. The crystal structure of Mg6Pd journal March 1972
A dense non-crystallographic packing of equal spheres journal September 1962
Acid–Base Chemistry in the Formation of Mackay-Type Icosahedral Clusters: μ3-Acidity Analysis of Sc-Rich Phases of the Sc–Ir System journal May 2014