Inorganic Solid Phases

(Y,Ca)Na6(Ca,Na)8(Mg,Fe)43(PO4)36, Y0.68Yb0.06Na8.69Ca5.40Sr0.01Mg30.71Fe11.56Mn0.18Si0.02S0.04P36.22O144 (Na1.51Ca0.85Mg5.3Y0.12Yb0.01Fe1.9[PO4]6) Crystal Structure

General Information

  • Phase Label(s): Na1.51Ca0.85Mg5.3Y0.12Yb0.01Fe1.9[PO4]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): stornesite-(Y)
  • Pearson Symbol: hR720
  • Space Group: 148
  • Phase Prototype: Na2CaMn6(Mn0.33Fe0.67)[PO4]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 310 variables; 3297 reflections; I > 4σ(I), R = 0.0857
  • Sample Detail(s): stornesite sample from Antarctica, Prydz Bay, Larsemann Hills, electron microprobe analysis; 0.25 wt.% SiO2, 47.98 wt.% P2O5, 0.03 wt.% SO3, 23.83 wt.% MgO, 0.22 wt.% MnO, 15.65 wt.% FeO, 5.09 wt.% Na2O, 6.07 wt.% CaO, 0.03 wt.% SrO, 1.10 wt.% Y2O3, 0.01 wt.% La2O3, 0.26 wt.% Yb2O3, 0.02 wt.% UO2, single crystal (determination of cell parameters), single crystal, 0.03×0.05×0.07 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na1.51Ca0.85Mg5.3Y0.12Yb0.01Fe1.9[PO4]6
  • Alphabetic Formula: Ca0.85Fe1.9Mg5.3Na1.51[PO4]6Y0.12Yb0.01
  • Published Formula: (Y,Ca)Na6(Ca,Na)8(Mg,Fe)43(PO4)36, Y0.68Yb0.06Na8.69Ca5.40Sr0.01Mg30.71Fe11.56Mn0.18Si0.02S0.04P36.22O144
  • Refined Formula: Ca0.85Fe1.87Mg5.30Na1.55O24P6Y0.11Yb0.01
  • Wyckoff Sequence: 148,f38c5ba
  • Z Formula Units: 18
  • Density: ρ = 3.19 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
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1213339

  • 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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