Inorganic Solid Phases

Na0.13K0.02Ba0.02Ca7.70Mg1.88Mn0.05Ni0.02Fe0.38V0.03Cr0.52Al9.04Ti0.07Si12.15O56H15.64 (Na0.07Ca2Mg0.4Cr0.33Fe0.07Al2Si3O10[OH]4) Crystal Structure

General Information

  • Phase Label(s): Na0.07Ca2Mg0.4Cr0.33Fe0.07Al2Si3O10[OH]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): pumpellyite-(Mg)
  • Pearson Symbol: mS88
  • Space Group: 12
  • Phase Prototype: Ca2(Mg0.1Mn0.15Al0.75)3Si3O11[OH]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS RAPID (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement on F2; 134 variables; 1243 reflections, R = 0.0484; wR = 0.1337
  • Sample Detail(s): pumpellyite sample from Japan, Okayama Prefecture, Osayama, electron microprobe analysis; Na0.13K0.02Ba0.02Ca7.70Mg1.88Mn2+0.05Ni0.02Fe2+0.38V3+0.03Cr3+0.52Al9.04Ti0.07Si12.15, single crystal (determination of cell parameters), single crystal, 0.1×0.1×0.1 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.02Ca1.9Mg0.5Cr0.1Fe0.1Al2.26Si3O10.1[OH]3.9
  • Alphabetic Formula: Al2.26Ca1.9Cr0.1Fe0.1Mg0.5Na0.02O10.1[OH]3.9Si3
  • Published Formula: Na0.13K0.02Ba0.02Ca7.70Mg1.88Mn0.05Ni0.02Fe0.38V0.03Cr0.52Al9.04Ti0.07Si12.15O56H15.64
  • Refined Formula: Al2.35Ca2Cr0.04Fe0.10H3Mg0.47Mn0.01Ni0.01O14Si3Ti0.02V0.01
  • Wyckoff Sequence: 12,j4i13f
  • Z Formula Units: 4
  • Density: ρ = 3.19 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_1225058

  • 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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