Inorganic Solid Phases

Ba10(Ca,Mn,Ti)4Si8O24(Cl,OH,O)12·4H2O (Ba10Ca1.5TiMn1.5Si8Cl8O26[OH]2[H2O]4) Crystal Structure

General Information

  • Phase Label(s): Ba10Ca1.5TiMn1.5Si8Cl8O26[OH]2[H2O]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): muirite
  • Pearson Symbol: tP67
  • Space Group: 123
  • Phase Prototype: Ba10Ca1.5TiMn1.5Si8Cl8O26[OH]2[H2O]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Ag Kα; λ = 0.056083 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement, R = 0.065
  • Sample Detail(s): muirite sample from U.S.A. California, Fresno County, single crystal (determination of cell parameters), single crystal, 0.2×0.2×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba10Ca1.5TiMn1.5Si8Cl8O26[OH]2[H2O]4
  • Alphabetic Formula: Ba10Ca1.5Cl8[H2O]4Mn1.5O26[OH]2Si8Ti
  • Published Formula: Ba10(Ca,Mn,Ti)4Si8O24(Cl,OH,O)12·4H2O
  • Refined Formula: Ba10Ca1.50Cl8H10Mn1.50O32Si8Ti
  • Wyckoff Sequence: 123,urponmlk2jiha
  • Z Formula Units: 1
  • Density: ρ = 3.88 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_1625415

  • 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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