Inorganic Solid Phases

(K1.84Rb0.13Cs0.01)(Na0.95)(Na0.28Mg0.05Mn5.40Fe2+0.53Zn0.73)(Ti0.24Zr0.41Nb1.33Ta0.04)(Si7.71Al0.33)F0.11(OH)4.00O26.89 (K2NaZn0.75Zr0.70Nb1.3Mn5.75Fe0.5Si8O27[OH]4) Crystal Structure

General Information

  • Phase Label(s): K2NaZn0.75Zr0.70Nb1.3Mn5.75Fe0.5Si8O27[OH]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): niobokupletskite
  • Pearson Symbol: aP53
  • Space Group: 2
  • Phase Prototype: K2NaTi2Mn7Si8O26[OH]4F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P3 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement, R = 0.0597; wR = 0.1023
  • Sample Detail(s): niobokupletskite sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, electron microprobe analysis; K1.84Rb0.13Cs0.01Na1.23Mg0.05Mn5.40Fe2+0.53Zn0.73Ti0.24Zr0.41Nb1.33Ta0.04Si7.71Al0.33F0.11[OH]4.00O26.89, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K2Na1.23Zn0.73Zr0.65Nb1.35Mn5.40Fe0.53Si8O26.89[OH]4.11
  • Alphabetic Formula: Fe0.53K2Mn5.40Na1.23Nb1.35O26.89[OH]4.11Si8Zn0.73Zr0.65
  • Published Formula: (K1.84Rb0.13Cs0.01)(Na0.95)(Na0.28Mg0.05Mn5.40Fe2+0.53Zn0.73)(Ti0.24Zr0.41Nb1.33Ta0.04)(Si7.71Al0.33)F0.11(OH)4.00O26.89
  • Refined Formula: H4K1.78Mn5.98Na1.08Nb1.80O31Rb0.13Si8Ti0.20Zn0.84
  • Wyckoff Sequence: 2,i25gda
  • Z Formula Units: 1
  • Density: ρ = 3.45 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1626278

  • 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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