Inorganic Solid Phases

(ZrC)[Al0.96Si0.04]4C3 (ZrAl3.84Si0.16C4) Crystal Structure

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General Information

  • Phase Label(s): ZrAl3.84Si0.16C4
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hP18
  • Space Group: 156
  • Phase Prototype: ZrAl4C4
  • Measurement Detail(s): automatic diffractometer; PANalytical X'Pert PRO MPD Alpha-1 (determination of structural parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): carbide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RP = 0.0531; wRP = 0.0693; RB = 0.0194
  • Sample Detail(s): sample prepared from ZrC, Al4C3, SiC, energy-dispersive X-ray analysis; Zr/Al/Si ratio 20.2(15)/76.7(22)/3.1(8); Al/Si ratio 0.96(1)/0.04(1); amounts of (ZrC)2Al4C3 (7.4 wt.%), powder (determination of structural parameters)

Substance Summary

  • Standard Formula: ZrAl3.84Si0.16C4
  • Alphabetic Formula: Al3.84C4Si0.16Zr
  • Published Formula: (ZrC)[Al0.96Si0.04]4C3
  • Refined Formula: Al3.84C4Si0.16Zr
  • Wyckoff Sequence: 156,c5b5a8
  • Z Formula Units: 2
  • Density: ρ = 3.91 Mg·m−3
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Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1717706

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

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