Inorganic Solid Phases

K2Fe2[B2P4O16(OH)2] (KFeB[PO4]2[OH] tricl) Crystal Structure

General Information

  • Phase Label(s): KFeB[PO4]2[OH] tricl
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP28
  • Space Group: 2
  • Phase Prototype: KFeB[PO4]2[OH]
  • Measurement Detail(s): automatic diffractometer; 64 (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; 131 variables; 1714 reflections; F > 4σ(F), R = 0.0379; wR = 0.0891
  • Sample Detail(s): sample prepared from FeCl3[H2O]6, K2B4O7[H2O]10, K2HPO4, HCl, energy-dispersive X-ray analysis; K/Fe/B/P ratio 1/1/1/2, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: KFeB[PO4]2[OH]
  • Alphabetic Formula: BFeK[OH][PO4]2
  • Published Formula: K2Fe2[B2P4O16(OH)2]
  • Refined Formula: BFeHKO9P2
  • Wyckoff Sequence: 2,i14
  • Z Formula Units: 2
  • Density: ρ = 3.03 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_1707039

  • 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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