Inorganic Solid Phases

Ca5[Si3O8(OH)]2·4H2O-Ca5[Si6O17]·5H2O (Ca5Si6O17[H2O]5 mon1) Crystal Structure

General Information

  • Phase Label(s): Ca5Si6O17[H2O]5 mon1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): clinotobermorite 9
  • Pearson Symbol: mS54
  • Space Group: 12
  • Phase Prototype: Ca2.5Si3O8[OH][H2O]2
  • Measurement Detail(s): automatic diffractometer; 46 (determination of cell parameters), automatic diffractometer; Siemens P4R (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 79 variables; 1877 reflections; F > 4σ(F), R = 0.0671; wR = 0.1667
  • Sample Detail(s): clinotobermorite sample from South Africa, Northern Cape Province, Kalahari manganese field, Wessel's mine, electron microprobe analysis; Ca5Si6O16[OH]2[H2O]5, single crystal (determination of cell parameters), single crystal, 0.04×0.1×0.17 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca2.5Si3O8[OH][H2O]2
  • Alphabetic Formula: Ca2.5[H2O]2O8[OH]Si3
  • Published Formula: Ca5[Si3O8(OH)]2·4H2O-Ca5[Si6O17]·5H2O
  • Refined Formula: Ca2.50H5O11Si3
  • Wyckoff Sequence: 12,j2i9b
  • Z Formula Units: 2
  • Density: ρ = 2.67 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1002015

  • 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