Inorganic Solid Phases

[Cu(HSeO3)2(NO3)2]2−·2NH4+,NH4NO3 (H2[NH4]3Cu[SeO3]2[NO3]3 rt) Crystal Structure

General Information

  • Phase Label(s): H2[NH4]3Cu[SeO3]2[NO3]3 rt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP112
  • Space Group: 62
  • Phase Prototype: H2[NH4]3Cu[SeO3]2[NO3]3
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (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): nitrate, trioxoselenate(IV)
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 114 variables; 1251 reflections; I > 3σ(I), R = 0.031; wR = 0.041
  • Sample Detail(s): sample prepared from Cu[NO3]2, H2SeO3, NH4NO3, HNO3, chemical analysis; 11.00 wt.% Cu, 27.76 wt.% Se, 14.09 wt.% N, 2.59 wt.% H, single crystal (determination of cell parameters), single crystal, 0.7×0.8×0.8 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H2[NH4]3Cu[SeO3]2[NO3]3
  • Alphabetic Formula: CuH2[NH4]3[NO3]3[SeO3]2
  • Published Formula: [Cu(HSeO3)2(NO3)2]2−·2NH4+,NH4NO3
  • Refined Formula: CuH14N6O15Se2
  • Wyckoff Sequence: 62,d12c3a
  • Z Formula Units: 4
  • Density: ρ = 2.41 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1003846

  • 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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