Inorganic Solid Phases

[C(NH2)3]4[CdBr6] ([CN3H6]4CdBr6) Crystal Structure

General Information

  • Phase Label(s): [CN3H6]4CdBr6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP92
  • Space Group: 14
  • Phase Prototype: [CN3H6]4CdBr6
  • Measurement Detail(s): automatic diffractometer; STOE STADI 4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of structural parameters), T = 293 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): bromide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 2555 reflections; F > 2σ(F), R = 0.052; wR = 0.039
  • Sample Detail(s): sample prepared from guanidium carbonate, CdBr2, HBr, chemical analysis; 5.69 wt.% C, 2.90 wt.% H, 20.50 wt.% N, 13.93 wt.% Cd, 56.9 wt.% Br, single crystal, 0.25×0.4×1.9 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [CN3H6]4CdBr6
  • Alphabetic Formula: Br6[CN3H6]4Cd
  • Published Formula: [C(NH2)3]4[CdBr6]
  • Refined Formula: Br6C4CdH24N12
  • Wyckoff Sequence: 14,e23
  • Z Formula Units: 4
  • Density: ρ = 2.39 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_1021987

  • 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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