Inorganic Solid Phases

HSAPO-34, hydrated (D0.1[D3O]0.1Al[SiO4]0.2[PO4]0.8[D2O]0.1, T = 10 K) Crystal Structure

General Information

  • Phase Label(s): D0.1[D3O]0.1Al[SiO4]0.2[PO4]0.8[D2O]0.1
  • Structure Class(es): zeolite CHA
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR144
  • Space Group: 148
  • Phase Prototype: H0.1[H3O]0.1Al(Si0.2P0.8)O4[H2O]0.1
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Maryland, Gaithersburg, NIST Center for Neutron Research, NBSR (determination of structural parameters), neutrons; λ = 0.15390 nm (determination of cell and structural parameters), T = 10 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, orthosilicate, hydrate-D
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0463; wRP = 0.0572
  • Sample Detail(s): sample prepared from HSAPO-34, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: D0.1[D3O]0.1Al[SiO4]0.2[PO4]0.8[D2O]0.1
  • Alphabetic Formula: AlD0.1[D2O]0.1[D3O]0.1[PO4]0.8[SiO4]0.2
  • Published Formula: HSAPO-34, hydrated
  • Refined Formula: AlD1.05O4.34P0.78Si0.22
  • Wyckoff Sequence: 148,f8
  • Z Formula Units: 18
  • Density: ρ = 1.53 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
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_1214924

  • 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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