Inorganic Solid Phases

Li3[Mo8S8O8(OH)8{HMoO5(H2O)}]·25H2O (HLi3Mo9S8O13[OH]8[H2O]26) Crystal Structure

General Information

  • Phase Label(s): HLi3Mo9S8O13[OH]8[H2O]26
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI138
  • Space Group: 87
  • Phase Prototype: HLi3Mo9S8O13[OH]8[H2O]26
  • Measurement Detail(s): automatic diffractometer; 6317 (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 = 296 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide, sulfide, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, full-matrix least-squares refinement on F2; 96 variables; 1461 reflections; I > 2σ(I), R = 0.0457; wR = 0.1243
  • Sample Detail(s): sample prepared from K3Mo8S8O8[OH]8HMoO5[H2O][H2O]15, LiCl, elemental analysis; 44.16 wt.% Mo, 13.10 wt.% S, 1.11 wt.% Li, single crystal (determination of cell parameters), single crystal, 0.16×0.20×0.22 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: HLi3Mo9S8O13[OH]8[H2O]26
  • Alphabetic Formula: H[H2O]26Li3Mo9O13[OH]8S8
  • Published Formula: Li3[Mo8S8O8(OH)8{HMoO5(H2O)}]·25H2O
  • Refined Formula: H48Li3Mo9O41S8
  • Wyckoff Sequence: 87,i5h5e2dcb
  • Z Formula Units: 2
  • Density: ρ = 2.66 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1821001

  • 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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