Inorganic Solid Phases

Ca3Mn1.93Al0.07[SiO4]2.06[H4O4]0.94 (Ca3Mn1.93Al0.07[SiO4]2.06[OH]3.76) Crystal Structure

General Information

  • Phase Label(s): Ca3Mn1.93Al0.07[SiO4]2.06[OH]3.76
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): henritermierite
  • Pearson Symbol: tI192
  • Space Group: 142
  • Phase Prototype: Ca3(Mn0.96Al0.04)2[SiO4]2.06[OH]3.76
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F2; 59 variables; F > 4σ(F), R = 0.0162; wR = 0.0390
  • Sample Detail(s): henritermierite sample from South Africa, Northern Cape Province, Kalahari manganese field, N'Chwaning mine, chemical analysis; (Ca2.98Na0.01Mg0.01)(Mn1.95Fe0.01Al0.04)[SiO4]2.07[H4O4]0.93, single crystal (determination of cell parameters), single crystal, 0.100×0.175×0.200 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca3Mn1.93Al0.07[SiO4]2.06[OH]3.76
  • Alphabetic Formula: Al0.07Ca3Mn1.93[OH]3.76[SiO4]2.06
  • Published Formula: Ca3Mn1.93Al0.07[SiO4]2.06[H4O4]0.94
  • Refined Formula: Al0.07Ca3H3.80Mn1.93O11.96Si2.05
  • Wyckoff Sequence: 142,g4e2cba
  • Z Formula Units: 8
  • Density: ρ = 3.45 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1211725

  • 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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