Inorganic Solid Phases

NaK2{Zn2[H(CO3)2](CO3)2(H2O)2} (HK2NaZn2[CO3]4[H2O]2) Crystal Structure

General Information

  • Phase Label(s): HK2NaZn2[CO3]4[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP46
  • Space Group: 14
  • Phase Prototype: HK2NaZn2[CO3]4[H2O]2
  • Measurement Detail(s): automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays (determination of structural parameters), T = 293 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 115 variables; 2638 reflections; F > 4σ(F), R = 0.052; wR = 0.029
  • Sample Detail(s): sample prepared from Zn(CH3COO)2[H2O]2, K2CO3, NaHCO3, atomic absorption spectroscopy, chemical analysis, gravimetry; C13.82H17.93K6.71Na3.60O50.82Zn7.12; K, Na, Zn, C and H content analyzed, single crystal, 0.05×0.10×0.21 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: HK2NaZn2[CO3]4[H2O]2
  • Alphabetic Formula: [CO3]4H[H2O]2K2NaZn2
  • Published Formula: NaK2{Zn2[H(CO3)2](CO3)2(H2O)2}
  • Refined Formula: C4H5K2NaO14Zn2
  • Wyckoff Sequence: 14,e11a
  • Z Formula Units: 2
  • Density: ρ = 2.82 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1710372

  • 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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