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atomic coordination

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Series: ASM Handbook
Volume: 20
Publisher: ASM International
Published: 01 January 1997
DOI: 10.31399/asm.hb.v20.a0002460
EISBN: 978-1-62708-194-8
... Abstract This article focuses on the relationships among material properties and material structure. It summarizes the fundamental characteristics of metals, ceramics, and polymers. The article provides information on the crystal structure, the atomic coordination, and crystalline defects...
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Published: 01 December 2004
Fig. 32 The principle of operation of a 3D atom probe. The x and y coordinates of each atom are determined from the impact position on the position-sensitive detector. The z coordinate is determined from its position in the evaporation sequence. The mass-to-charge ratio and hence More
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Published: 31 August 2017
Fig. 1 Number of atoms in the first coordination sphere obtained by neutron diffraction and x-ray. Source: Ref 2 More
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Published: 01 January 1986
Fig. 4 The experimental RDF curve obtained for silica glass and the corresponding curves calculated from the atomic coordinates of a 1412 atom model and spherical regions within the crystal structures of tridymite, cristobalite, and quartz. For the small details in G ( r ) at large r More
Series: ASM Handbook
Volume: 10
Publisher: ASM International
Published: 15 December 2019
DOI: 10.31399/asm.hb.v10.a0006631
EISBN: 978-1-62708-213-6
... The main application of single-crystal x-ray diffraction (XRD) is to characterize the crystal structure, including determining symmetry, unit cell parameters, atomic coordinates and thermal displacement parameters, bond lengths and angles between the atoms, and structural motive (or topology). During...
Series: ASM Handbook Archive
Volume: 10
Publisher: ASM International
Published: 01 January 1986
DOI: 10.31399/asm.hb.v10.a0001758
EISBN: 978-1-62708-178-8
... diffraction has as its primary goal the determination of crystal structure, the arrangement of atoms within the unit cell. If the atoms are grouped into molecules, the molecular structure is an added benefit. Once the atoms are located, interatomic bond distances and angles can be calculated, coordination...
Series: ASM Handbook Archive
Volume: 10
Publisher: ASM International
Published: 01 January 1986
DOI: 10.31399/asm.hb.v10.a0001762
EISBN: 978-1-62708-178-8
... is the distance between the i th and j th atoms, N ij is the coordination number, and l ij is the disorder parameter. Elimination of spurious details due to termination effects from the RDF is based on the recognition that generally only the shortest distances contribute significantly...
Series: ASM Handbook
Volume: 10
Publisher: ASM International
Published: 15 December 2019
DOI: 10.31399/asm.hb.v10.a0006665
EISBN: 978-1-62708-213-6
... N j atoms (the coordination number). Lambda is the mean free path of the photoelectron. The second exponential containing σ j 2 is a Debye-Waller term in which σ j 2 is not the usual mean-square vibrational amplitude of an atom but the mean-square relative positional...
Series: ASM Handbook Archive
Volume: 10
Publisher: ASM International
Published: 01 January 1986
DOI: 10.31399/asm.hb.v10.a0001765
EISBN: 978-1-62708-178-8
... to the refinement of atomic coordinates, increasingly it has been applied to the solution of structures by trial and error or Patterson methods. In addition to refinement of atomic coordinates and temperature factors, the original Rietveld code was established for the refinement of magnetic structures. Newer...
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Published: 01 January 1986
by the small letters at the end of the label) to complete the coordination sphere around each atom. Source: Ref 14 More
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Published: 01 January 1986
at the origin with coordinates 0, 0, 0 has an equivalent at 1 2 , 1 2 , 1 2 (the center of the cell). More generally, an atom at x , y, z has an equivalent at 1 2 + x , 1 2 + y , 1 2 + z. Source: Ref 3 More
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Published: 01 January 1990
Fig. 3 The metallic radius for a coordination number (CN) of twelve versus the lanthanide atomic number More
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Published: 01 November 1995
Fig. 2 The wurtzite (a) and zinc blende (b) structures illustrating two arrangements of atoms that result in tetrahedral coordination of both constituents More
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Published: 01 December 2009
point; atoms whose coordination number differs from 12 are not shown. Courtesy of J. Li More
Series: ASM Handbook Archive
Volume: 10
Publisher: ASM International
Published: 01 January 1986
DOI: 10.31399/asm.hb.v10.a0001764
EISBN: 978-1-62708-178-8
... (the coordination number). Lambda is the mean free path of the photoelectron. The second exponential containing σ j 2 is a Debye-Waller term in which σ j 2 is not the usual mean-square vibrational amplitude of an atom, but the mean-square relative positional fluctuation of the central...
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Published: 30 September 2015
Fig. 10 Relationship between x-ray line broadening and vibratory milling time for Nickel 123 powder. Numbers in parentheses refer to coordinates of atomic planes in face-centered cubic structure. More
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Published: 01 January 1986
Fig. 7 Diffraction in a unit cell and the structure factor equation for the cell. The positions of atoms 1 and 2 are defined by their position coordinates based on fractions of the unit cell dimensions in directions a , b , and c . x 1 = X 1 / a , y 1 = Y 1 / b , and z 1 = Z More
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Published: 15 December 2019
Fig. 7 Diffraction in a unit cell and the structure factor equation for the cell. The positions of atoms 1 and 2 are defined by their position coordinates based on fractions of the unit-cell dimensions in directions a , b , and c . x 1 = X 1 / a , y 1 = Y 1 / b , and z 1 = Z More
Book Chapter

Series: ASM Handbook
Volume: 3
Publisher: ASM International
Published: 27 April 2016
DOI: 10.31399/asm.hb.v03.a0006292
EISBN: 978-1-62708-163-4
..., because different materials with the same type of atomic arrangement have atoms that differ in size, causing the lengths of the a , b , and c edges to differ. Similarly, the atom-position coordinates x , y , and z vary among different materials. Atom Positions The position of an atom...
Book Chapter

Series: ASM Handbook
Volume: 9
Publisher: ASM International
Published: 01 December 2004
DOI: 10.31399/asm.hb.v09.a0003722
EISBN: 978-1-62708-177-1
..., causing the lengths of the a , b, and c edges to differ. Similarly, the atom-position coordinates x , y , and z vary among different materials. Atom Positions The position of an atom, or the lattice point, in a unit cell is expressed by three coordinates ( Ref 5 )—the three distances...