Inorganic Solid Phases

(NH4)12Al12Si36O96 ([NH4]6Al6Si18O48[H2O]1.2, T = 373 K) Crystal Structure

General Information

  • Phase Label(s): [NH4]6Al6Si18O48[H2O]1.2
  • Structure Class(es): zeolite RHO
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI162
  • Space Group: 217
  • Phase Prototype: [NH4]6(Al0.25Si0.75)24O48[H2O]1.2
  • Measurement Detail(s): automatic diffractometer; Scintag PAD-I (determination of structural parameters), X-rays (determination of structural parameters), T = 373 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 25 variables; 113 reflections, wRP = 0.105; RB = 0.078
  • Sample Detail(s): sample prepared from Rho zeolite, NH4Cl, NH4[OH], chemical analysis; no Na and trace of Cs detected, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH4]6Al6Si18O48[H2O]1.2
  • Alphabetic Formula: Al6[H2O]1.2[NH4]6O48Si18
  • Published Formula: (NH4)12Al12Si36O96
  • Refined Formula: Al6H26.40N6O49.20Si18
  • Wyckoff Sequence: 217,h2g2eb
  • Z Formula Units: 2
  • Density: ρ = 1.60 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_1705323

  • 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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