Inorganic Solid Phases

Zn3(Mn,Mg)25(Fe3+,Al)(As3+O3)2[(Si,As5+)O4]10(OH)16 (Mg2Zn3Mn23Fe0.84Al0.16[SiO4]7[AsO3]2[AsO4]3[OH]16) Crystal Structure

General Information

  • Phase Label(s): Mg2Zn3Mn23Fe0.84Al0.16[SiO4]7[AsO3]2[AsO4]3[OH]16
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): kraisslite
  • Pearson Symbol: oS412
  • Space Group: 20
  • Phase Prototype: Mg2Zn3Mn23(Fe0.84Al0.16)[(Si0.875As0.125)O4]8[AsO3]2[AsO4]2[OH]16
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 APEX II (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): arsenite, arsenate, hydroxide, orthosilicate
  • Interpretation Detail(s): complete structure determined; absolute structure determined, least-squares refinement; 502 variables; 7432 reflections; I > 2σ(I), R = 0.0168; wR = 0.0422
  • Sample Detail(s): kraisslite sample from U.S.A. New Jersey, Sussex County, Ogdensburg, Sterling Hill mine, electron microprobe analysis; Zn2.91(Mn23.07Mg1.69Ca0.03)(Fe3+0.83Al0.16)(As3+O3)2[(Si0.71As5+0.30)O4]10[OH]16, single crystal (determination of cell parameters), single crystal, 0.015×0.050×0.060 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg2Zn3Mn23Fe0.84Al0.16[SiO4]7[AsO3]2[AsO4]3[OH]16
  • Alphabetic Formula: Al0.16[AsO3]2[AsO4]3Fe0.84Mg2Mn23[OH]16[SiO4]7Zn3
  • Published Formula: Zn3(Mn,Mg)25(Fe3+,Al)(As3+O3)2[(Si,As5+)O4]10(OH)16
  • Refined Formula: As4.91H16Mn25.32O62Si7.09Zn2.86
  • Wyckoff Sequence: 20,c50b2a
  • Z Formula Units: 4
  • Density: ρ = 4.09 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_1229496

  • 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