Inorganic Solid Phases

(Si7.980Al0.020)(Al0.108Fe3+1.683Mn0.009Ti0.003Mg3.148Li0.112)(Ca0.098Na1.839)(Na0.130K0.046)O22(OH)1.765F0.229O0.006 (Na1.928Li0.13Ca0.14Mg3.172Fe1.783Al0.115Si7.906O22[OH]1.832F0.168) Crystal Structure

General Information

  • Phase Label(s): Na1.928Li0.13Ca0.14Mg3.172Fe1.783Al0.115Si7.906O22[OH]1.832F0.168
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): magnesio-riebeckite/richterite
  • Pearson Symbol: mS88
  • Space Group: 12
  • Phase Prototype: Na2.08Mg5.78Al0.12Si8O22F2
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1361 reflections, R = 0.037
  • Sample Detail(s): amphibole group sample from India, Madhya Pradesh State, Jhabua, Kajlidongri mine, electron microprobe analysis; (Si7.980Al0.020)(Al0.108Fe3+1.683Mn0.009Ti0.003Mg3.148Li0.112)(Ca0.098Na1.839)(Na0.130K0.046)O22[OH]1.765F0.229O0.006, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na2.015Li0.112Ca0.1Mg3.148Fe1.693Al0.128Si7.98O22.006[OH]1.765F0.229
  • Alphabetic Formula: Al0.128Ca0.1F0.229Fe1.693Li0.112Mg3.148Na2.015O22.006[OH]1.765Si7.98
  • Published Formula: (Si7.980Al0.020)(Al0.108Fe3+1.683Mn0.009Ti0.003Mg3.148Li0.112)(Ca0.098Na1.839)(Na0.130K0.046)O22(OH)1.765F0.229O0.006
  • Refined Formula: Al0.11Ca0.10F0.23Fe1.68H1.77K0.05Li0.10Mg3.15Mn0.01Na1.98O23.77Si8
  • Wyckoff Sequence: 12,j7i3h2g2ba
  • 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1221630

  • 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