Inorganic Solid Phases

K2(Li2.9Na1.7Ca0.70.7)Be6P6O24(OH)2·1.3H2O (K2Na1.7Li2.9Ca0.7Be6[PO4]6[OH]2[H2O]1.3) Crystal Structure

General Information

  • Phase Label(s): K2Na1.7Li2.9Ca0.7Be6[PO4]6[OH]2[H2O]1.3
  • Structure Class(es): zeolite CAN
  • Classification by Properties:
  • Mineral Name(s): tiptopite
  • Pearson Symbol: hP64
  • Space Group: 173
  • Phase Prototype: K2(Na0.32Li0.55Ca0.13)5.3Be6[PO4]6[OH]2[H2O]1.3
  • Measurement Detail(s): precession and Weissenberg photographs (determination of cell parameters), automatic diffractometer; Buerger-Supper Pace-Picker (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 420 reflections; F > 3σ(F), R = 0.074; wR = 0.047
  • Sample Detail(s): tiptopite sample from U.S.A. South Dakota, Custer County, Black Hills, single crystal (determination of cell parameters), single crystal, 0.07×0.07×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K2Na1.7Li2.9Ca0.7Be6[PO4]6[OH]2[H2O]1.3
  • Alphabetic Formula: Be6Ca0.7[H2O]1.3K2Li2.9Na1.7[OH]2[PO4]6
  • Published Formula: K2(Li2.9Na1.7Ca0.70.7)Be6P6O24(OH)2·1.3H2O
  • Refined Formula: Be6Ca0.69H4.68K2Li2.90Na1.69O27.34P6
  • Wyckoff Sequence: 173,c10ba
  • Z Formula Units: 1
  • Density: ρ = 2.55 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_1616149

  • 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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