Inorganic Solid Phases

(NH4)16[Zn13.4Co2.6B8P24O96] ([NH4]2Zn1.675Co0.325BP3O12) Crystal Structure

General Information

  • Phase Label(s): [NH4]2Zn1.675Co0.325BP3O12
  • Structure Class(es): zeolite ANA
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI208
  • Space Group: 199
  • Phase Prototype: [NH4]2(Zn0.56Co0.11B0.33)3[PO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): borate, phosphate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 79 variables; I > 2σ(I), R = 0.0943; wR = 0.2030
  • Sample Detail(s): sample prepared from H3BO3, Zn(CH3COO)2[H2O]2, [NH4]2HPO4, Co[NO3]2[H2O]6, single crystal (determination of cell parameters), single crystal, 0.15×0.15×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH4]2Zn1.675Co0.325BP3O12
  • Alphabetic Formula: BCo0.325[NH4]2O12P3Zn1.675
  • Published Formula: (NH4)16[Zn13.4Co2.6B8P24O96]
  • Refined Formula: B0.99Co0.33H8N2O12P3Zn1.68
  • Wyckoff Sequence: 199,c8a2
  • Z Formula Units: 8
  • Density: ρ = 2.69 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_1011133

  • 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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