Inorganic Solid Phases

Na2NaMnMn2Mg2(Al,Fe)2(PO4)6 (Na2Mg0.5Mn0.5FeAl[PO4]3) Crystal Structure

General Information

  • Phase Label(s): Na2Mg0.5Mn0.5FeAl[PO4]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): qingheiite-(Fe2+)
  • Pearson Symbol: mP80
  • Space Group: 14
  • Phase Prototype: NaMnFeAl[PO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku RASA-IIS (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of structural parameters), T = 295 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 2294 reflections; F > 3σ(F), wR = 0.055
  • Sample Detail(s): qingheiite sample from China, Xinjiang Autonomeous Region, Qinghe County, chemical analysis; Na1(Na1.6245Ca0.1561K0.0074)1.7880MnMn2(Mg1.9006Mn0.0994)2(Al0.8277Fe2+0.5111Mg0.3540Fe3+0.2621Zn0.0260Ti0.0060Cr0.0050Li0.0130)1.9659P5.9907O24, single crystal (determination of cell parameters), single crystal, 0.2×0.25×0.35 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na3Mg2Mn3FeAl[PO4]6
  • Alphabetic Formula: AlFeMg2Mn3Na3[PO4]6
  • Published Formula: Na2NaMnMn2Mg2(Al,Fe)2(PO4)6
  • Refined Formula: AlFeMg2Mn3Na2.84O24P6
  • Wyckoff Sequence: 14,e20a
  • Z Formula Units: 2
  • Density: ρ = 3.61 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_1626221

  • 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