Inorganic Solid Phases

Ba12(Si11Al5)O31(CO3)8Cl5 (Ba3Al1.25Si2.75[CO3]2Cl1.25O7.75) Crystal Structure

General Information

  • Phase Label(s): Ba3Al1.25Si2.75[CO3]2Cl1.25O7.75
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): kampfite
  • Pearson Symbol: mS100
  • Space Group: 9
  • Phase Prototype: Ba3(Al0.31Si0.69)4[CO3]2Cl1.25O7.75
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, silicate, chloride
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F2; 231 variables; 2938 reflections; F > 4σ(F), R = 0.023; wR = 0.056
  • Sample Detail(s): kampfite sample from U.S.A. California, Fresno County, Rush Creek, electron microprobe analysis; C8.00Si10.77Ti0.05Al5.18Sr0.03Ba12.13Na0.06Cl4.93O55.34, single crystal (determination of cell parameters), single crystal, 0.013×0.2×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba3Al1.25Si2.75[CO3]2Cl1.25O7.75
  • Alphabetic Formula: Al1.25Ba3[CO3]2Cl1.25O7.75Si2.75
  • Published Formula: Ba12(Si11Al5)O31(CO3)8Cl5
  • Refined Formula: Al1.25Ba2.91C2Cl1.24O14Si2.75
  • Wyckoff Sequence: 9,a25
  • Z Formula Units: 4
  • Density: ρ = 3.78 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_1217112

  • 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