Inorganic Solid Phases

(ZrC)[Al0.94Si0.06]8C6 (ZrAl7.52Si0.48C7) Crystal Structure

General Information

  • Phase Label(s): ZrAl7.52Si0.48C7
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR48
  • Space Group: 166
  • Phase Prototype: ZrAl8C7
  • 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 = 0.0601; wRP = 0.0803; RB = 0.0233
  • Sample Detail(s): sample prepared from ZrC, Al4C3, SiC, energy-dispersive X-ray analysis; Zr/Al/Si ratio 10.9(13)/83.9(18)/5.3(12); Al/Si ratio 0.94(1)/0.06(1); amounts of (ZrC)Al4C3 (5.1 wt.%), Al4SiC4 (13.1 wt.%) and Al4C3 (5.1 wt.%), powder (determination of structural parameters)

Substance Summary

  • Standard Formula: ZrAl7.52Si0.48C7
  • Alphabetic Formula: Al7.52C7Si0.48Zr
  • Published Formula: (ZrC)[Al0.94Si0.06]8C6
  • Refined Formula: Al7.52C7Si0.48Zr
  • Wyckoff Sequence: 166,c7ba
  • Z Formula Units: 3
  • Density: ρ = 3.53 Mg·m−3

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_1717705

  • 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)

  • Cite this content

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