Inorganic Solid Phases

K2Fe2[Fe2(Nb,Ta)2O4(H2O)4(PO4)4] (KTa0.29Nb0.71Fe2[PO4]2O2[H2O]2) Crystal Structure

General Information

  • Phase Label(s): KTa0.29Nb0.71Fe2[PO4]2O2[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): olmsteadite
  • Pearson Symbol: oP36
  • Space Group: 26
  • Phase Prototype: K(Ta0.29Nb0.71)Fe2[PO4]2O2[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Picker (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; absolute structure determined, 1846 reflections; I > 2σ(I), R = 0.037
  • Sample Detail(s): olmsteadite sample from U.S.A. South Dakota, Custer County, Black Hills, Big Chief pegmatite, single crystal (determination of cell parameters), single crystal, 0.13×0.12×0.056 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KTa0.29Nb0.71Fe2[PO4]2O2[H2O]2
  • Alphabetic Formula: Fe2[H2O]2KNb0.71O2[PO4]2Ta0.29
  • Published Formula: K2Fe2[Fe2(Nb,Ta)2O4(H2O)4(PO4)4]
  • Refined Formula: Fe2H4KNb0.71O12P2Ta0.29
  • Wyckoff Sequence: 26,c4b4a6
  • Z Formula Units: 2
  • Density: ρ = 3.59 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2090211

  • 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

    Citation copied