Inorganic Solid Phases

KD(CO)3 (DK[CO3] rt, T = 95 K) Crystal Structure

General Information

  • Phase Label(s): DK[CO3] rt
  • Structure Class(es):
  • Classification by Properties: ferroelectric FE, nonmetal
  • Mineral Name(s):
  • Pearson Symbol: mP20
  • Space Group: 14
  • Phase Prototype: HK[CO3]
  • Measurement Detail(s): automatic diffractometer; STOE-Philips 2-circle (determination of structural parameters), X-rays, Cu Kα (determination of structural parameters), T = 95 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, full-matrix least-squares refinement; 540 reflections; F2 > 2σ(F2), R = 0.033; wR = 0.044
  • Sample Detail(s): sample prepared from K2CO3, D2O, CO2, single crystal, 0.45×0.118×0.118 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: DK[CO3]
  • Alphabetic Formula: [CO3]DK
  • Published Formula: KD(CO)3
  • Refined Formula: CDKO3
  • Wyckoff Sequence: 14,e5
  • Z Formula Units: 4
  • Density: ρ = 2.23 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_1100218

  • 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