Inorganic Solid Phases

(Na4.47Ca2.86K0.11)(Si5.96Al6.04O24)Cl2.03(CO3)0.78(SO4)0.33 (K0.1Na4.5Ca2.81Al6[SiO4]6[CO3]0.78[SO4]0.33Cl2, T = 108 K) Crystal Structure

General Information

  • Phase Label(s): K0.1Na4.5Ca2.81Al6[SiO4]6[CO3]0.78[SO4]0.33Cl2
  • Structure Class(es): zeolite CAN
  • Classification by Properties:
  • Mineral Name(s): balliranoite
  • Pearson Symbol: hP72
  • Space Group: 173
  • Phase Prototype: K0.1Na4.5Ca2.81Al6[SiO4]6[CO3]0.78[SO4]0.33Cl2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Gemini Ultra (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 108 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, sulfate, orthosilicate, chloride
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, full-matrix least-squares refinement on F2; 100 variables; 2545 reflections; F > 4σ(F), R = 0.0287; wR = 0.0583
  • Sample Detail(s): balliranoite sample from Myanmar (Burma), Mogok, electron microprobe analysis; Na4.47Ca2.86K0.11Si5.96Al6.04O24Cl2.03[CO3]0.78[SO4]0.33, twinned crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.11Na4.47Ca2.86Al6.04[SiO4]5.96[CO3]0.78[SO4]0.33Cl2.03O0.16
  • Alphabetic Formula: Al6.04[CO3]0.78Ca2.86Cl2.03K0.11Na4.47O0.16[SO4]0.33[SiO4]5.96
  • Published Formula: (Na4.47Ca2.86K0.11)(Si5.96Al6.04O24)Cl2.03(CO3)0.78(SO4)0.33
  • Refined Formula: Al6C1.46Ca2Cl2Na6.08O28.07Si6
  • Wyckoff Sequence: 173,c11ba2
  • Z Formula Units: 1
  • Density: ρ = 2.46 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_1141375

  • 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