Inorganic Solid Phases

{[Rb1.94(H2O,OH)3.84](H2O)0.1}{Al4(OH)4[PO4]3} (Rb1.94Al4[PO4]3[OH]4.94[H2O]3) Crystal Structure

General Information

  • Phase Label(s): Rb1.94Al4[PO4]3[OH]4.94[H2O]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP46
  • Space Group: 215
  • Phase Prototype: Rb1.94Al4[PO4]3[OH]4.94[H2O]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined; absolute structure determined, full-matrix least-squares refinement on F2; 32 variables; 312 reflections, R = 0.0316; wR = 0.0780
  • Sample Detail(s): sample prepared from Rb2O, Al2O3, P2O5, electron microprobe analysis, energy-dispersive X-ray analysis; Rb, Al and P detected, single crystal (determination of cell parameters), single crystal, 0.10×0.11×0.11 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Rb1.94Al4[PO4]3[OH]4.94[H2O]3
  • Alphabetic Formula: Al4[H2O]3[OH]4.94[PO4]3Rb1.94
  • Published Formula: {[Rb1.94(H2O,OH)3.84](H2O)0.1}{Al4(OH)4[PO4]3}
  • Refined Formula: Al4H10.95O19.94P3Rb1.94
  • Wyckoff Sequence: 215,i2fe3ca
  • Z Formula Units: 1
  • Density: ρ = 2.75 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_1603198

  • 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