Inorganic Solid Phases

K1C60 (K[C60] rt) Crystal Structure

General Information

  • Phase Label(s): K[C60] rt
  • Structure Class(es):
  • Classification by Properties: intercalation compound, metal, nonmetal, superconductor
  • Mineral Name(s):
  • Pearson Symbol: oP122
  • Space Group: 58
  • Phase Prototype: Rb[C60]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Maryland, Gaithersburg, NIST Center for Neutron Research, NBSR, BT-1 (determination of structural parameters), neutrons; λ = 0.15396 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): fulleride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, wRP = 0.0885
  • Sample Detail(s): sample prepared from C60, K, amounts of C60 (4.14 wt.%) and K3C60 (3.25 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K[C60]
  • Alphabetic Formula: [C60]K
  • Published Formula: K1C60
  • Refined Formula: C60K
  • Wyckoff Sequence: 58,h14g2a
  • Z Formula Units: 2
  • Density: ρ = 1.94 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1123775

  • 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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