Inorganic Solid Phases

(Li2.08Na4.13Mg0.24Ca1.66Mn14.24)Ca4(Fe2+0.7Al0.13)4(Al0.96Fe3+0.04)8(PO4)24F8 (Na1.03Li0.52Ca1.42Mg0.06Mn3.56Fe1.12Al1.92[PO4]6F2) Crystal Structure

General Information

  • Phase Label(s): Na1.03Li0.52Ca1.42Mg0.06Mn3.56Fe1.12Al1.92[PO4]6F2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): griphite
  • Pearson Symbol: cP168
  • Space Group: 205
  • Phase Prototype: Na1.03Li0.52Ca1.42Mg0.06Mn3.56Fe0.78Al1.92[PO4]6F2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 763 reflections; F > 2σ(F), R = 0.032; wR = 0.036
  • Sample Detail(s): griphite sample from France, East Pyrenees, Albères massif, sample prepared from graphite, chemical analysis; (Mn14.24Na4.13Li2.08Ca1.66Fe2+1.29Mg0.24Fe3+0.05)Ca4(Fe0.7Al0.130.17)4(Al0.96Fe3+0.04)8([PO4]0.93[H4O4]0.03]24[F0.8[OH]0.2)8, single crystal (determination of cell parameters), single crystal, 0.2 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Na1.03Li0.52Ca1.42Mg0.06Mn3.56Fe1.12Al1.92[PO4]6F2
  • Alphabetic Formula: Al1.92Ca1.42F2Fe1.12Li0.52Mg0.06Mn3.56Na1.03[PO4]6
  • Published Formula: (Li2.08Na4.13Mg0.24Ca1.66Mn14.24)Ca4(Fe2+0.7Al0.13)4(Al0.96Fe3+0.04)8(PO4)24F8
  • Refined Formula: Al1.92Ca1.42F2Fe1.19Li0.54Mg0.06Mn3.60Na1.02O24P6
  • Wyckoff Sequence: 205,d6c2ba
  • Z Formula Units: 4
  • Density: ρ = 3.67 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1600277

  • 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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