Inorganic Solid Phases

Mn2+4[Si3As5+O12(OH)] (Ca0.1Mn3.9Si3[SiO4]0.3[AsO4]0.7O7.7[OH]1.3) Crystal Structure

General Information

  • Phase Label(s): Ca0.1Mn3.9Si3[SiO4]0.3[AsO4]0.7O7.7[OH]1.3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): tiragalloite
  • Pearson Symbol: mP84
  • Space Group: 14
  • Phase Prototype: Mn4Si3[AsO4]O8[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)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, orthosilicate, silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 195 variables, R = 0.0283; wR = 0.0571
  • Sample Detail(s): tiragalloite sample from Italy, Apennines, Liguria, Val Graveglia, Gambatesa mine, electron microprobe analysis; (Mn2+3.85Ca0.11V3+0.04)[Si3.00(As5+0.64Si0.32V5+0.04)]O11.72[OH]1.28, single crystal (determination of cell parameters), single crystal, 0.03×0.04×0.045 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.1Mn3.9Si3[SiO4]0.3[AsO4]0.7O7.7[OH]1.3
  • Alphabetic Formula: [AsO4]0.7Ca0.1Mn3.9O7.7[OH]1.3Si3[SiO4]0.3
  • Published Formula: Mn2+4[Si3As5+O12(OH)]
  • Refined Formula: As0.70Ca0.06HMn3.94O13Si3.22V0.08
  • Wyckoff Sequence: 14,e21
  • Z Formula Units: 4
  • Density: ρ = 3.79 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_1225433

  • 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