Inorganic Solid Phases

Pb3.95(Ca0.1Sr0.05)[Ti(Ti0.80Nb0.20)4Si12O38(OH)]·9.52H2O (Sr0.02Ca0.05Ti2.10Nb0.40Pb1.98Si6O19[OH]0.5[H2O]4.76) Crystal Structure

General Information

  • Phase Label(s): Sr0.02Ca0.05Ti2.10Nb0.40Pb1.98Si6O19[OH]0.5[H2O]4.76
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS122
  • Space Group: 65
  • Phase Prototype: Sr0.02Ca0.05Ti0.5(Ti0.8Nb0.2)2Pb1.98Si6O19[OH]0.5[H2O]4.76
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (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; I > 2σ(I), R = 0.0530; wR = 0.1467
  • Sample Detail(s): sample prepared from zorite, Pb[NO3]2, electron microprobe analysis; Pb3.4−4.2Ca0.05−0.1Sr0.05(Ti4.1−4.2Nb0.9−0.8)Si12, single crystal (determination of cell parameters), single crystal, 0.04×0.06×0.17 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Sr0.02Ca0.05Ti2.10Nb0.40Pb1.98Si6O19[OH]0.5[H2O]4.76
  • Alphabetic Formula: Ca0.05[H2O]4.76Nb0.40O19[OH]0.5Pb1.98Si6Sr0.02Ti2.10
  • Published Formula: Pb3.95(Ca0.1Sr0.05)[Ti(Ti0.80Nb0.20)4Si12O38(OH)]·9.52H2O
  • Refined Formula: Ca0.05H10.02Nb0.40O24.26Pb1.97Si6Sr0.02Ti2.10
  • Wyckoff Sequence: 65,rqp2n6kj2ihfecba
  • Z Formula Units: 2
  • Density: ρ = 3.20 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1620676

  • 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