Inorganic Solid Phases

Ca7K[SiO4]3F3 (KCa7[SiO4]3F3) Crystal Structure

General Information

  • Phase Label(s): KCa7[SiO4]3F3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP52
  • Space Group: 159
  • Phase Prototype: KCa7[SiO4]3F3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F; 80 variables; 1216 reflections; I > 3σ(I), R = 0.0183; wR = 0.0235
  • Sample Detail(s): sample prepared from SiO2, CaCO3, KF, electron microprobe analysis; K/Ca ratio 0.154(3)/1; K1.09Ca6.91[SiO3.97F0.03]3F3; amounts of Ca2SiO4, twinned crystal (determination of cell parameters), twinned crystal, 0.08×0.12×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KCa7[SiO4]3F3
  • Alphabetic Formula: Ca7F3K[SiO4]3
  • Published Formula: Ca7K[SiO4]3F3
  • Refined Formula: Ca6.60F3K1.40O12Si3
  • Wyckoff Sequence: 159,c8ba
  • Z Formula Units: 2
  • Density: ρ = 3.22 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

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_1126576

  • 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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