Inorganic Solid Phases

(Al5.2Si0.8)(O1.6C3.4) (Al5.2Si0.8C3.4O1.6) Crystal Structure

General Information

  • Phase Label(s): Al5.2Si0.8C3.4O1.6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR39
  • Space Group: 166
  • Phase Prototype: (Al0.87Si0.13)6(C0.68O0.32)5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; PANalytical X'Pert PRO MPD Alpha-1 (determination of structural parameters), X-rays, Cu Kα1 (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0348; wRP = 0.0445; RB = 0.0227
  • Sample Detail(s): sample prepared from Al4.4Si0.6C3O, energy-dispersive X-ray analysis; Al5.25(5)Si0.75(5)O1.60(7)C3.40(7), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Al5.2Si0.8C3.4O1.6
  • Alphabetic Formula: Al5.2C3.4O1.6Si0.8
  • Published Formula: (Al5.2Si0.8)(O1.6C3.4)
  • Refined Formula: Al5.25C3.40O1.60Si0.75
  • Wyckoff Sequence: 166,c6a
  • Z Formula Units: 3
  • Density: ρ = 3.12 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_1224423

  • 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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