Inorganic Solid Phases

Na5.5(H2)2.15Si46 (Na2.75Si23[H2]1.075) Crystal Structure

General Information

  • Phase Label(s): Na2.75Si23[H2]1.075
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP*
  • Space Group: 223
  • Phase Prototype: *
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; INEL (determination of structural parameters), X-rays, Co Kα; λ = 0.178897 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.05259; wRP = 0.07178
  • Sample Detail(s): sample prepared from NaSi, NH4Br, chemical analysis, energy-dispersive X-ray analysis; Na/Si/H ratio 5.2-5.8/46/4-4.6; Na/Si ratio 4.7/46; small amounts of NaBr, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na2.75Si23[H2]1.075
  • Alphabetic Formula: [H2]1.075Na2.75Si23
  • Published Formula: Na5.5(H2)2.15Si46
  • Refined Formula: Na3.67Si23
  • Wyckoff Sequence: 223,kidca
  • Z Formula Units: 2
  • Density: ρ = 2.23 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1624228

  • 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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