Inorganic Solid Phases

Sr0.93Na3.20(Ca0.59Ba0.20Pb0.03K0.03)(Fe6.64Mg3.61Mn3.33Zn0.07Li0.01)(Sc0.04Al1.00)(OH1.1F0.9)[(P11.95Si0.02)O47(OH)1.0] (HNa3.2SrCa0.8Mg3.6Mn3.3Fe6.7Al[PO4]12[OH]2) Crystal Structure

General Information

  • Phase Label(s): HNa3.2SrCa0.8Mg3.6Mn3.3Fe6.7Al[PO4]12[OH]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): arrojadite-(SrFe)/dickinsonite-(KMnNa)
  • Pearson Symbol: mS336
  • Space Group: 9
  • Phase Prototype: HK0.8Na5.0Ca0.9Mg2.7Mn1.1Fe9.4Al[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; 842 variables; 8447 reflections, R = 0.0445
  • Sample Detail(s): arrojadite sample from Sweden, Värmland, Horrsjöberg, chemical analysis; 40.74 wt.% P2O5, 0.06 wt.% SiO2, 0.01 wt.% TiO2, 2.46 wt.% Al2O3, 7.00 wt.% MgO, 22.94 wt.% FeO, 11.34 wt.% MnO, 0.28 wt.% ZnO, 1.58 wt.% CaO, 4.63 wt.% SrO, 1.48 wt.% BaO, 0.29 wt.% PbO, 4.77 wt.% Na2O, 0.06 wt.% K2O, 0.82 wt.% F, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: HNa3.2SrCa0.8Mg3.6Mn3.3Fe6.7Al[PO4]12[OH]2
  • Alphabetic Formula: AlCa0.8Fe6.7HMg3.6Mn3.3Na3.2[OH]2[PO4]12Sr
  • Published Formula: Sr0.93Na3.20(Ca0.59Ba0.20Pb0.03K0.03)(Fe6.64Mg3.61Mn3.33Zn0.07Li0.01)(Sc0.04Al1.00)(OH1.1F0.9)[(P11.95Si0.02)O47(OH)1.0]
  • Refined Formula: Al0.96Ba0.28Ca0.72F1.27Fe9.57H3Mg4.09Na3.06O48.73P12Sr0.83
  • Wyckoff Sequence: 9,a84
  • Z Formula Units: 4
  • Density: ρ = 3.53 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_1212864

  • 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

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