Inorganic Solid Phases

(K2.85Na0.15)Na1.00(Ca0.71Na0.60)(Y1.72Yb0.10Er0.06Dy0.05Th0.03Ce0.01Tm0.01Ca0.05)[Si12O30.02](H2O)3.27 (K2.76NaCa1.12Y1.66Yb0.34Si12O30[H2O]4) Crystal Structure

General Information

  • Phase Label(s): K2.76NaCa1.12Y1.66Yb0.34Si12O30[H2O]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): yakovenchukite-(Y)
  • Pearson Symbol: oP220
  • Space Group: 54
  • Phase Prototype: K2.76NaCa1.12(Y0.83Yb0.17)2Si12O30[H2O]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS (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, least-squares refinement on F2; 1269 reflections; F > 4σ(F), R = 0.051; wR = 0.077
  • Sample Detail(s): yakovenchukite sample from Russia, Kola Peninsula, Khibiny massif, Mt. Kukisvumchorr, electron microprobe analysis; (K2.85Na0.15)Na1.00(Ca0.71Na0.60)(Y1.72Yb0.10Er0.06Dy0.05Th0.03Ce0.01Tm0.01Ca0.05)[Si12O30.02][H2O]3.27, single crystal (determination of cell parameters), single crystal, 0.01×0.04×0.22 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K2.76NaCa1.12Y1.66Yb0.34Si12O30[H2O]4
  • Alphabetic Formula: Ca1.12[H2O]4K2.76NaO30Si12Y1.66Yb0.34
  • Published Formula: (K2.85Na0.15)Na1.00(Ca0.71Na0.60)(Y1.72Yb0.10Er0.06Dy0.05Th0.03Ce0.01Tm0.01Ca0.05)[Si12O30.02](H2O)3.27
  • Refined Formula: Ca1.12H8K2.76NaO34Si12Y1.66Yb0.34
  • Wyckoff Sequence: 54,f24e2dc2ba
  • Z Formula Units: 4
  • Density: ρ = 2.73 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1217136

  • 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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