Inorganic Solid Phases

(NH4Cl)Fe14(OH)6(PO4)6(HPO4)2 (H2[NH4]Fe14[PO4]8Cl[OH]6) Crystal Structure

General Information

  • Phase Label(s): H2[NH4]Fe14[PO4]8Cl[OH]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS124
  • Space Group: 12
  • Phase Prototype: H2[NH4]Fe14[PO4]8Cl[OH]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker-Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, chloride
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement; 183 variables, R = 0.0363; wR = 0.0366
  • Sample Detail(s): sample prepared from FeCl2, Fe2O3 (hematite), [NH4]2HPO4, energy-dispersive X-ray analysis; Cl/Fe/P ratio 4/60/35; amounts of [NH4]Fe2[PO4]2 and Fe2O3, single crystal (determination of cell parameters), single crystal, 0.017×0.034×0.173 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H2[NH4]Fe14[PO4]8Cl[OH]6
  • Alphabetic Formula: ClFe14H2[NH4][OH]6[PO4]8
  • Published Formula: (NH4Cl)Fe14(OH)6(PO4)6(HPO4)2
  • Refined Formula: ClFe14H12NO38P8
  • Wyckoff Sequence: 12,j5i19fdc
  • Z Formula Units: 2
  • Density: ρ = 3.60 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_1932926

  • 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