Inorganic Solid Phases

Ca13Si10O28F10·6H2O (Ca13Si10O28F10[H2O]6) Crystal Structure

General Information

  • Phase Label(s): Ca13Si10O28F10[H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): zeophyllite
  • Pearson Symbol: hR201
  • Space Group: 148
  • Phase Prototype: Ca13Si10O28F10[H2O]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE 4-circle (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, fluoride, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 108 variables; 2238 reflections; F > 3σ(F), R = 0.0338; wR = 0.033
  • Sample Detail(s): zeophyllite sample from Czech Republic, Ceske stredohori Mts., Radejcin, chemical analysis; 39.05 wt.% SiO2, 1.45 wt.% Al2O3, 0.04 wt.% Fe2O3, 0.003 wt.% MnO, 0.042 wt.% MgO, 46.12 wt.% CaO, 0.09 wt.% Na2O, 0.15 wt.% K2O, 6.75 wt.% H2O, 10.50 wt.% F, single crystal (determination of cell parameters), single crystal, 0.05×0.40×0.40 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca13Si10O28F10[H2O]6
  • Alphabetic Formula: Ca13F10[H2O]6O28Si10
  • Published Formula: Ca13Si10O28F10·6H2O
  • Refined Formula: Ca13F10H12O34Si10
  • Wyckoff Sequence: 148,f9c6a
  • Z Formula Units: 3
  • Density: ρ = 2.77 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]
2U12 [nm2]
2U13 [nm2]
2U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1214939

  • 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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