Inorganic Solid Phases

NaFe[BP2O7(OH)3] (HNaFeB[PO4]2[OH]2) Crystal Structure

General Information

  • Phase Label(s): HNaFeB[PO4]2[OH]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS60
  • Space Group: 15
  • Phase Prototype: HNaFeB[PO4]2[OH]2
  • Measurement Detail(s): automatic diffractometer; 42 (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, borate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 76 variables; 918 reflections; F > 4σ(F), R = 0.0263; wR = 0.0640
  • Sample Detail(s): sample prepared from FeCl3[H2O]6, Na2B4O7[H2O]10, Na2HPO4[H2O]2, HCl, energy-dispersive X-ray analysis; Na/Fe/B/P ratio 1/1/1/2, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: HNaFeB[PO4]2[OH]2
  • Alphabetic Formula: BFeHNa[OH]2[PO4]2
  • Published Formula: NaFe[BP2O7(OH)3]
  • Refined Formula: BFeH3NaO10P2
  • Wyckoff Sequence: 15,f6e2c
  • Z Formula Units: 4
  • Density: ρ = 2.96 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_1707038

  • 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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