Inorganic Solid Phases

(Na0.94Ca0.10)Be0.98(CO3)1.00(OH)1.10·1.66H2O (Na0.9Ca0.1Be[CO3][OH]1.1[H2O]1.7) Crystal Structure

General Information

  • Phase Label(s): Na0.9Ca0.1Be[CO3][OH]1.1[H2O]1.7
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): niveolanite
  • Pearson Symbol: tP64
  • Space Group: 124
  • Phase Prototype: (Na0.9Ca0.1)Be[CO3][OH]1.1[H2O]1.7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, SNBL (determination of structural parameters), X-rays, synchrotron; λ = 0.071468 nm (determination of cell and structural parameters), T = 296 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, hydroxide, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, full-matrix least-squares refinement on F2; 50 variables; 411 reflections; I > 2σ(I), R = 0.0358; wR = 0.0993
  • Sample Detail(s): niveolanite sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, Poudrette quarry, electron microprobe analysis, inductive coupled plasma method; (Na0.94Ca0.10)Be0.98[CO3]1.00[OH]1.10[H2O]1.66, single crystal (determination of cell parameters), single crystal, 0.02×0.02×0.50 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.9Ca0.1Be[CO3][OH]1.1[H2O]1.7
  • Alphabetic Formula: Be[CO3]Ca0.1[H2O]1.7Na0.9[OH]1.1
  • Published Formula: (Na0.94Ca0.10)Be0.98(CO3)1.00(OH)1.10·1.66H2O
  • Refined Formula: BeCCa0.10H2.90Na0.90O5
  • Wyckoff Sequence: 124,nm5j
  • Z Formula Units: 8
  • Density: ρ = 2.03 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]

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_1221627

  • 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