Inorganic Solid Phases

D2O-Rho (D4.56Al4.56Si19.44O48, T = 423 K) Crystal Structure

General Information

  • Phase Label(s): D4.56Al4.56Si19.44O48
  • Structure Class(es): zeolite RHO
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI144
  • Space Group: 229
  • Phase Prototype: H6(Al0.25Si0.75)24O48
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, HFBR, H6M (determination of structural parameters), neutrons; λ = 0.2381 nm (determination of cell and structural parameters), T = 423 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, wRP = 0.1428; RB = 0.0754
  • Sample Detail(s): sample prepared from NH4-rho zeolite, chemical analysis; D9.15Cs0.95Al10.3Si37.7O96, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: D5.15Al5.15Si18.85O48[D2O]4
  • Alphabetic Formula: Al5.15D5.15[D2O]4O48Si18.85
  • Published Formula: D2O-Rho
  • Refined Formula: Al5.11D8.42O52.21Si18.89
  • Wyckoff Sequence: 229,lkjiheb
  • Z Formula Units: 2
  • Density: ρ = 1.49 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_1252678

  • 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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