Inorganic Solid Phases

(Li,Na)Mn4[Si5O14(OH)] (Na0.2Li0.6Ca0.1Mg0.2Mn3.75Fe0.05Si5O14[OH]) Crystal Structure

General Information

  • Phase Label(s): Na0.2Li0.6Ca0.1Mg0.2Mn3.75Fe0.05Si5O14[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): marsturite/nambulite
  • Pearson Symbol: aP50
  • Space Group: 2
  • Phase Prototype: NaCd4Ge5O14[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 296(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 232 variables; 3289 reflections; I > 2σ(I), R = 0.0174; wR = 0.0495
  • Sample Detail(s): nambulite sample from Japan, Fukushima Prefecture, Iwaki, Gozaisho mine, electron microprobe analysis, inductive coupled plasma method; Si5.00Fe2+0.03(1)Mn2+3.64(3)Mg0.26(1)Ca0.05(1)Na0.08(1)Li0.67O14[OH], single crystal (determination of cell parameters), single crystal, 0.06×0.10×0.27 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.1Li0.7Ca0.07Mg0.3Mn3.7Fe0.03Si5O14[OH]
  • Alphabetic Formula: Ca0.07Fe0.03Li0.7Mg0.3Mn3.7Na0.1O14[OH]Si5
  • Published Formula: (Li,Na)Mn4[Si5O14(OH)]
  • Refined Formula: HLi0.82Mn3.86Na0.18O15Si5
  • Wyckoff Sequence: 2,i25
  • Z Formula Units: 2
  • Density: ρ = 3.55 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_1235302

  • 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

    Citation copied