Inorganic Solid Phases

Na2Zr2[Be(PO4)4] (K0.9Na1.1Be0.8Zr2Al0.2[PO4]4) Crystal Structure

General Information

  • Phase Label(s): K0.9Na1.1Be0.8Zr2Al0.2[PO4]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): gainesite
  • Pearson Symbol: tI96
  • Space Group: 141
  • Phase Prototype: Na2BeZr2[PO4]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 41 variables; 1072 reflections, R = 0.055
  • Sample Detail(s): gainesite sample from U.S.A. Maine, Oxford County, Newry, Nevel deposit, electron microprobe analysis; 1.93 wt.% Cs2O, 0.11 wt.% Rb2O, 1.45 wt.% K2O, 6.81 wt.% Na2O, 1.7 wt.% Li2O, 4.11 wt.% ZnO, 0.54 wt.% FeO, 0.83 wt.% MnO, 0.15 wt.% SrO, 0.86 wt.% CaO, 0.3 wt.% MgO, 2.8 wt.% BeO, 1.21 wt.% Al2O3, 33 wt.% ZrO2, 0.59 wt.% SiO2, 45 wt.% P2O5, single crystal (determination of cell parameters), single crystal, 0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.8NaBe0.8Zr2Al0.2[PO4]4
  • Alphabetic Formula: Al0.2Be0.8K0.8Na[PO4]4Zr2
  • Published Formula: Na2Zr2[Be(PO4)4]
  • Refined Formula: Al0.18Be0.82K0.83Na1.08O16P4Zr2
  • Wyckoff Sequence: 141,h5eba
  • Z Formula Units: 2
  • Density: ρ = 2.83 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [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_1616019

  • 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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