Inorganic Solid Phases

K2.33Na0.49Ca4.03Be5.08Al0.89Si24.07O60[H2O]2.24 (KNa0.03Ca2Be2.21Al0.65Si12.14O30[H2O]0.75) Crystal Structure

General Information

  • Phase Label(s): KNa0.03Ca2Be2.21Al0.65Si12.14O30[H2O]0.75
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): milarite
  • Pearson Symbol: hP108
  • Space Group: 192
  • Phase Prototype: K1.1Ca2(Be0.7Al0.3)3Si12O30[H2O]0.75
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 405 reflections; F > 3σ(F), R = 0.097; wR = 0.109
  • Sample Detail(s): milarite sample from Czech Republic, Vysocina Region, Vezna area, electron microprobe analysis; 71.60 wt.% SiO2, 11.20 wt.% CaO, 6.30 wt.% BeO, 5.45 wt.% K2O, 2.25 wt.% Al2O3, 2.00 wt.% H2O, 0.75 wt.% Na2O, single crystal (determination of cell parameters), single crystal, 0.04×0.04×0.50 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K1.3Na0.25Ca2Be2.55Al0.45Si12O30[H2O]1.12
  • Alphabetic Formula: Al0.45Be2.55Ca2[H2O]1.12K1.3Na0.25O30Si12
  • Published Formula: K2.33Na0.49Ca4.03Be5.08Al0.89Si24.07O60[H2O]2.24
  • Refined Formula: Al0.45Be2.55Ca2H1.36K1.18Na0.24O30.68Si12
  • Wyckoff Sequence: 192,m3lh2fa
  • Z Formula Units: 2
  • Density: ρ = 2.61 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1818931

  • 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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