Inorganic Solid Phases

NaY(CO3)2·6H2O (NaY[CO3]2[H2O]6) Crystal Structure

General Information

  • Phase Label(s): NaY[CO3]2[H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): adamsite-(Y)
  • Pearson Symbol: aP64
  • Space Group: 2
  • Phase Prototype: NaY[CO3]2[H2O]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P4 APEX (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 3338 reflections; F > 5σ(F), R = 0.046; wR = 0.058
  • Sample Detail(s): adamsite sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, Poudrette quarry, electron microprobe analysis; Na1.00(Y0.72Dy0.06Er0.05Gd0.04Nd0.03Yb0.02Sm0.02Ho0.02Ce0.01Tb0.01Tm0.01)C2.04H11.87O12, single crystal (determination of cell parameters), single crystal, 0.04×0.16×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NaY[CO3]2[H2O]6
  • Alphabetic Formula: [CO3]2[H2O]6NaY
  • Published Formula: NaY(CO3)2·6H2O
  • Refined Formula: C2H12NaO12Y
  • Wyckoff Sequence: 2,i32
  • Z Formula Units: 4
  • Density: ρ = 2.15 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_1014093

  • 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