Inorganic Solid Phases

{(Ti2.3Nb0.7)(Ca4.5Mn1.5)[Si3O9]2[Si10O28]2}{Na19.1Sr0.3TR0.1Cl0.8(H2O)1.6K0.1} (K0.17Na19.17Ca4.5Ti2.31Nb0.69Mn1.5Si26Cl0.8O74[H2O]1.54) Crystal Structure

General Information

  • Phase Label(s): K0.17Na19.17Ca4.5Ti2.31Nb0.69Mn1.5Si26Cl0.8O74[H2O]1.54
  • Structure Class(es): eudialyte family
  • Classification by Properties:
  • Mineral Name(s): alluaivite
  • Pearson Symbol: hR801
  • Space Group: 166
  • Phase Prototype: Na17.3Sr1.7(Ca0.7Mn0.3)6(Ti0.8Nb0.2)3Si26ClO74[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1583 reflections; I > 3σ(I), R = 0.054
  • Sample Detail(s): alluaivite sample from Russia, Kola Peninsula, Lovozero massif, chemical analysis; (Na17.47K0.12Sr0.28Ba0.11La0.03Ce0.14)(Ca4.46Mn1.47)(Ti2.18Nb0.85Zr0.05)Si25.82O73.26Cl0.66[H2O]2.75, single crystal (determination of cell parameters), single crystal, 0.3 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.17Na19.17Ca4.5Ti2.31Nb0.69Mn1.5Si26Cl0.8O74[H2O]1.54
  • Alphabetic Formula: Ca4.5Cl0.8[H2O]1.54K0.17Mn1.5Na19.17Nb0.69O74Si26Ti2.31
  • Published Formula: {(Ti2.3Nb0.7)(Ca4.5Mn1.5)[Si3O9]2[Si10O28]2}{Na19.1Sr0.3TR0.1Cl0.8(H2O)1.6K0.1}
  • Refined Formula: Ca4.50Cl0.80H3.07K0.17Mn1.50Na19.17Nb0.69O75.54Si26Ti2.31
  • Wyckoff Sequence: 166,i8h23gfedc7a
  • Z Formula Units: 6
  • Density: ρ = 2.75 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_1005235

  • 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