Inorganic Solid Phases

LiCo0.820Fe0.0976Cr0.0488Si0.00976PO4 (Li0.98Cr0.049Fe0.098Co0.820Si0.010[PO4]) Crystal Structure

General Information

  • Phase Label(s): Li0.98Cr0.049Fe0.098Co0.820Si0.010[PO4]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP28
  • Space Group: 62
  • Phase Prototype: Mg2[SiO4]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Tennessee, Oak Ridge National Laboratory ORNL, SNS, BL-11A, POWGEN (determination of structural parameters), X-rays, synchrotron; λ = 0.0414 nm (determination of cell parameters), neutrons, time-of-flight (determination of structural parameters), T = 300 K (determination of cell parameters), T = 298 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, wRP = 0.0668
  • Sample Detail(s): sample prepared from LiH2PO4, Co[OH]2, FeC2O4[H2O]2, Cr3+, Si4+, amounts of Li9Cr0.69Fe2.31[P2O7]3[PO4]2 and LiCr0.88Fe0.12P2O7 (3 and 1.1 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li0.98Cr0.049Fe0.098Co0.820Si0.010[PO4]
  • Alphabetic Formula: Co0.820Cr0.049Fe0.098Li0.98[PO4]Si0.010
  • Published Formula: LiCo0.820Fe0.0976Cr0.0488Si0.00976PO4
  • Refined Formula: Co0.81Cr0.06Fe0.11Li0.95O4PSi0.01
  • Wyckoff Sequence: 62,dc4a
  • Z Formula Units: 4
  • Density: ρ = 3.70 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1145256

  • 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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