Inorganic Solid Phases

(Ca3.10Mn0.40Sr0.20)(K0.20Ba0.10)[Ti4.12Nb0.88](Si6O17)2[O3.48(OH)1.52](H2O)12.96 (K0.10Ba0.05Sr0.10Ca1.55Ti2.06Nb0.44Mn0.20Si6O18.74[OH]0.76[H2O]6.48) Crystal Structure

General Information

  • Phase Label(s): K0.10Ba0.05Sr0.10Ca1.55Ti2.06Nb0.44Mn0.20Si6O18.74[OH]0.76[H2O]6.48
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): chivruaiite
  • Pearson Symbol: oS140
  • Space Group: 65
  • Phase Prototype: K0.10Ba0.05Sr0.10Ca1.55Ti2.06Nb0.44Mn0.20Si6O18.74[OH]0.76[H2O]6.48
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P4 SMART (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 687 reflections; F > 4σ(F), R = 0.038; wR = 0.107
  • Sample Detail(s): chivruaiite sample from Russia, Kola Peninsula, Khibiny massif, electron microprobe analysis; 45.14 wt.% SiO2, 20.63 wt.% TiO2, 0.07 wt.% Al2O3, 0.18 wt.% Fe2O3, 0.02 wt.% MnO, 0.01 wt.% MgO, 10.53 wt.% CaO, 0.10 wt.% Na2O, 1.30 wt.% K2O, 0.28 wt.% SrO, 3.63 wt.% Nb2O5, 17.30 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.008×0.040×0.080 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.10Ba0.05Sr0.10Ca1.55Ti2.06Nb0.44Mn0.20Si6O18.74[OH]0.76[H2O]6.48
  • Alphabetic Formula: Ba0.05Ca1.55[H2O]6.48K0.10Mn0.20Nb0.44O18.74[OH]0.76Si6Sr0.10Ti2.06
  • Published Formula: (Ca3.10Mn0.40Sr0.20)(K0.20Ba0.10)[Ti4.12Nb0.88](Si6O17)2[O3.48(OH)1.52](H2O)12.96
  • Refined Formula: Ba0.05Ca1.55H11.92K0.10Mn0.20Nb0.44O25.46Si6Sr0.11Ti2.06
  • Wyckoff Sequence: 65,r3p2n4k3j3ihfecb
  • Z Formula Units: 2
  • Density: ρ = 2.38 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_1213334

  • 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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