Inorganic Solid Phases

(Ca,Na)2(Y,REE)3Si6O18·2H2O (NaCaY2.3Dy0.7Si6O18[H2O]2) Crystal Structure

General Information

  • Phase Label(s): NaCaY2.3Dy0.7Si6O18[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): gerenite-(Y)
  • Pearson Symbol: aP31
  • Space Group: 2
  • Phase Prototype: (Na0.5Ca0.5)2(Y0.77Dy0.23)3Si6O18[H2O]2
  • Measurement Detail(s): automatic diffractometer; 42 (determination of cell parameters), automatic diffractometer; Siemens P3 (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; 1369 reflections; I > 3σ(I), R = 0.052; wR = 0.068
  • Sample Detail(s): gerenite sample from Canada, Quebec, Strange Lake, electron microprobe analysis; (Ca1.21Na0.49Mn0.08)(Y2.22Dy0.19Er0.17Yb0.13Gd0.05Ho0.05Sm0.02Tb0.02Tm0.02Lu0.02Ce0.01Nd0.01)Si6O19.89H4.00, single crystal (determination of cell parameters), single crystal, 0.01×0.1×0.1 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NaCaY2.3Dy0.7Si6O18[H2O]2
  • Alphabetic Formula: CaDy0.7[H2O]2NaO18Si6Y2.3
  • Published Formula: (Ca,Na)2(Y,REE)3Si6O18·2H2O
  • Refined Formula: Ca1.21Dy0.68H4Na0.57O20Si6Y2.24
  • Wyckoff Sequence: 2,i15d
  • Z Formula Units: 1
  • Density: ρ = 3.43 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_1014092

  • 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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