Inorganic Solid Phases

Ca7(Si6O18)(CO3)·2H2O (Ca7Si6[CO3]O18[H2O]2) Crystal Structure

General Information

  • Phase Label(s): Ca7Si6[CO3]O18[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): scawtite
  • Pearson Symbol: mS74
  • Space Group: 8
  • Phase Prototype: Ca7Si6[CO3]O18[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex R3 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, silicate, hydrate
  • Interpretation Detail(s): complete structure determined, block-diagonal least-squares refinement
  • Sample Detail(s): scawtite sample from China, Anhui province, Suixi County, Sulu terrane, single crystal (determination of cell parameters), single crystal, 0.15×0.2×0.4 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca7Si6[CO3]O18[H2O]2
  • Alphabetic Formula: [CO3]Ca7[H2O]2O18Si6
  • Published Formula: Ca7(Si6O18)(CO3)·2H2O
  • Refined Formula: CCa7H4O23Si6
  • Wyckoff Sequence: 8,b15a7
  • Z Formula Units: 2
  • Density: ρ = 3.03 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1214315

  • 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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