Inorganic Solid Phases

Th(Ca,Na)2(K1−zz)[Si8O20], z= 0.47 (KNaCaThSi8O20) Crystal Structure

General Information

  • Phase Label(s): KNaCaThSi8O20
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): turkestanite
  • Pearson Symbol: tP64
  • Space Group: 124
  • Phase Prototype: K(Na0.5Ca0.5)2ThSi8O20
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; ADP-2 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase; 61 variables; 850 reflections, R = 0.0190; RP = 0.0316; wRP = 0.0404; RB = 0.0218
  • Sample Detail(s): turkestanite sample from Kyrgyzstan, Tien-Shan, chemical analysis; Th1.06(Ca1.40Na0.49)(K0.530.47)(Si7.80Al0.20)O19.93[OH]0.07[H2O]n; amounts of ThSiO4 (1.34 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.53Na0.5Ca1.4ThSi8O20
  • Alphabetic Formula: Ca1.4K0.53Na0.5O20Si8Th
  • Published Formula: Th(Ca,Na)2(K1−zz)[Si8O20], z= 0.47
  • Refined Formula: Ca1.40K0.53Na0.50O20Si8Th
  • Wyckoff Sequence: 124,n3mfba
  • Z Formula Units: 2
  • Density: ρ = 3.40 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_1012890

  • 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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