Inorganic Solid Phases

K0.83Na5.01(Ca0.91Sr0.01)(Fe2+9.34Mg2.69Mn2+1.03Zn0.01Li0.01)(Al1.04Ti0.02)(OH1.97F0.03)[(P11.99Si0.01)O47(OH)1.00] (H0.7K0.5Na5.8Ca0.5Mg0.1Mn9.7Fe3.8Al0.9[PO4]12[OH]2) Crystal Structure

General Information

  • Phase Label(s): H0.7K0.5Na5.8Ca0.5Mg0.1Mn9.7Fe3.8Al0.9[PO4]12[OH]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): dickinsonite-(KMnNa)
  • Pearson Symbol: mS348
  • Space Group: 9
  • Phase Prototype: H0.7K0.5Na5.8Ca0.5Mg0.1Mn9.7Fe3.8Al0.9[PO4]12[OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 847 variables; 8656 reflections, R = 0.0325
  • Sample Detail(s): arrojadite sample from Canada, Yukon, Rapid Creek area, chemical analysis; 41.20 wt.% P2O5, 0.01 wt.% SiO2, 0.07 wt.% TiO2, 2.56 wt.% Al2O3, 5.23 wt.% MgO, 32.40 wt.% FeO, 3.54 wt.% MnO, 0.04 wt.% ZnO, 2.48 wt.% CaO, 0.03 wt.% SrO, 0.02 wt.% BaO, 0.03 wt.% PbO, 7.50 wt.% Na2O, 1.90 wt.% K2O, 0.02 wt.% F, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: HK0.8Na5.0Ca0.9Mg2.7Mn1.1Fe9.4Al[PO4]12[OH]2
  • Alphabetic Formula: AlCa0.9Fe9.4HK0.8Mg2.7Mn1.1Na5.0[OH]2[PO4]12
  • Published Formula: K0.83Na5.01(Ca0.91Sr0.01)(Fe2+9.34Mg2.69Mn2+1.03Zn0.01Li0.01)(Al1.04Ti0.02)(OH1.97F0.03)[(P11.99Si0.01)O47(OH)1.00]
  • Refined Formula: Al0.99Ca0.97F0.31Fe10.49H3K0.96Mg2.57Na5O49.69P12
  • Wyckoff Sequence: 9,a84
  • Z Formula Units: 4
  • Density: ρ = 3.44 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1212863

  • 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