Inorganic Solid Phases

(Ca0.613Mn0.319Fe0.068)2NaHSi3O9 (HNaCa0.324Mn1.611Fe0.063Si3O9) Crystal Structure

General Information

  • Phase Label(s): HNaCa0.324Mn1.611Fe0.063Si3O9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP30
  • Space Group: 2
  • Phase Prototype: HNaCa2Si3O9
  • Measurement Detail(s): automatic diffractometer; 12 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1364 reflections, R = 0.036; wR = 0.041
  • Sample Detail(s): sample from Greenland, Qaqortoq (Julianehab), Kangerdluarssuk, electron microprobe analysis; composition confirmed, single crystal (determination of cell parameters), single crystal, 0.41×0.10×0.07 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: HNaCa1.227Mn0.639Fe0.135Si3O9
  • Alphabetic Formula: Ca1.227Fe0.135HMn0.639NaO9Si3
  • Published Formula: (Ca0.613Mn0.319Fe0.068)2NaHSi3O9
  • Refined Formula: Ca1.23Mn0.77NaO9Si3
  • Wyckoff Sequence: 2,i15
  • Z Formula Units: 2
  • Density: ρ = 3.10 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_2060557

  • 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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