Inorganic Solid Phases

(Ga54.59In44.66Er0.75)2S300 (Er0.03Ga1.1In0.9S3) Crystal Structure

General Information

  • Phase Label(s): Er0.03Ga1.1In0.9S3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP48
  • Space Group: 169
  • Phase Prototype: Er0.03Ga(Ga0.1In0.9)S3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; DRON-4.13 (determination of structural parameters), X-rays, Cu Kα; λ = 0.154185 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.1435; RB = 0.0869
  • Sample Detail(s): sample prepared from Ga, In, S, Er, energy-dispersive X-ray analysis; 32.32(28) wt.% S, 21.72(37) wt.% Ga, 41.08(36) wt.% In, 1.86(29) wt.% Er, 3.02(34) wt.% O, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Er0.03Ga1.1In0.9S3
  • Alphabetic Formula: Er0.03Ga1.1In0.9S3
  • Published Formula: (Ga54.59In44.66Er0.75)2S300
  • Refined Formula: Er0.03Ga1.10In0.90S3
  • Wyckoff Sequence: 169,a8
  • Z Formula Units: 6
  • Density: ρ = 4.04 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_1244059

  • 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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