Inorganic Solid Phases

Ca3(Al,Mn3+)2(SiO4)3−x(H4O4)x (Ca3Mn1.01Al0.99[SiO4]2[OH]4) Crystal Structure

General Information

  • Phase Label(s): Ca3Mn1.01Al0.99[SiO4]2[OH]4
  • Structure Class(es): garnet family
  • Classification by Properties:
  • Mineral Name(s): holtstamite
  • Pearson Symbol: tI160
  • Space Group: 142
  • Phase Prototype: Ca0.8Mg0.2Mn0.1Fe1.9Al2[SiO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 296 K (determination of cell parameters), T = 293 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 58 variables; F > 4σ(F), R = 0.0357; wR = 0.0917
  • Sample Detail(s): holtstamite sample from South Africa, Northern Cape Province, Kalahari manganese field, Wessel's mine, electron microprobe analysis; Ca3(Al0.96Mn3+0.68Fe3+0.37)[SiO4]2.00[H4O4]0.99, powder (determination of cell parameters), single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca3Mn1.01Al0.99[SiO4]2[OH]4
  • Alphabetic Formula: Al0.99Ca3Mn1.01[OH]4[SiO4]2
  • Published Formula: Ca3(Al,Mn3+)2(SiO4)3−x(H4O4)x
  • Refined Formula: Al0.99Ca3H4Mn1.01O12Si1.95
  • Wyckoff Sequence: 142,g3e2cba
  • Z Formula Units: 8
  • Density: ρ = 3.33 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1011147

  • 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