Inorganic Solid Phases

(Cs,K)0.33[Na0.18Fe0.16(H2O)1.05]{ZnPO4} (Cs1.62K0.36Na1.08Zn6Fe0.96[PO4]6[H2O]6.3) Crystal Structure

General Information

  • Phase Label(s): Cs1.62K0.36Na1.08Zn6Fe0.96[PO4]6[H2O]6.3
  • Structure Class(es): zeolite CAN
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP58
  • Space Group: 173
  • Phase Prototype: Cs1.62K0.36Na1.08Zn6Fe0.96[PO4]6[H2O]6.3
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer; Syntex P-1 (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 363 reflections; I > 1.96σ(I), wR = 0.0326
  • Sample Detail(s): sample prepared from CsF, ZnO, [NH4]2HPO4, X-ray fluorescence spectroscopy; Zn, P, Cs, Fe and K detected, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cs1.62K0.36Na1.08Zn6Fe0.96[PO4]6[H2O]6.3
  • Alphabetic Formula: Cs1.62Fe0.96[H2O]6.3K0.36Na1.08[PO4]6Zn6
  • Published Formula: (Cs,K)0.33[Na0.18Fe0.16(H2O)1.05]{ZnPO4}
  • Refined Formula: Cs1.62Fe0.96H12.60K0.36Na1.08O30.30P6Zn6
  • Wyckoff Sequence: 173,c9ba
  • Z Formula Units: 1
  • Density: ρ = 3.40 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_1023693

  • 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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