Inorganic Solid Phases

K7[Sc(CO3)4]CO3·9H2O (K7Sc[CO3]5[H2O]9) Crystal Structure

General Information

  • Phase Label(s): K7Sc[CO3]5[H2O]9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS296
  • Space Group: 5
  • Phase Prototype: K7Sc[CO3]5[H2O]9
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS I (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 669 variables; I > 2σ(I), R = 0.0443; wR = 0.1226
  • Sample Detail(s): sample prepared from K2CO3, ScCl3, amounts of K5(Sc[CO3]4)[H2O]5, single crystal (determination of cell parameters), single crystal, 0.15×0.27×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K7Sc[CO3]5[H2O]9
  • Alphabetic Formula: [CO3]5[H2O]9K7Sc
  • Published Formula: K7[Sc(CO3)4]CO3·9H2O
  • Refined Formula: C5H18K7O24Sc
  • Wyckoff Sequence: 5,c72b2a2
  • Z Formula Units: 8
  • Density: ρ = 2.04 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_1709554

  • 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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