Inorganic Solid Phases

H1.876K0.004Na0.074Ca1.782Mg2.385Fe2.757Mn0.026Al0.016Si7.98O23.912F0.048Cl0.04 (Na0.1Ca1.8Mg2.4Mn0.03Fe2.7Si8Cl0.04O22[OH]1.9F0.05) Crystal Structure

General Information

  • Phase Label(s): Na0.1Ca1.8Mg2.4Mn0.03Fe2.7Si8Cl0.04O22[OH]1.9F0.05
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): actinolite
  • Pearson Symbol: mS82
  • Space Group: 12
  • Phase Prototype: NaCa2Mg3(Mg0.5Al0.5)2(Al0.25Si0.75)8O22F2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Huber 512 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, chloride, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1643 reflections; I > 3σ(I), R = 0.027; wR = 0.037
  • Sample Detail(s): actinolite sample from Canada, Newfoundland and Labrador, Luce Lake, chemical analysis; 53.52 wt.% SiO2, 0.09 wt.% Al2O3, 0.98 wt.% Fe2O3, 21.22 wt.% FeO, 10.73 wt.% MgO, 0.20 wt.% MnO, 11.14 wt.% CaO, 0.19 wt.% Na2O, 0.01 wt.% K2O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.07Ca1.8Mg2.4Mn0.03Fe2.8Si8Cl0.04O22[OH]1.9F0.05
  • Alphabetic Formula: Ca1.8Cl0.04F0.05Fe2.8Mg2.4Mn0.03Na0.07O22[OH]1.9Si8
  • Published Formula: H1.876K0.004Na0.074Ca1.782Mg2.385Fe2.757Mn0.026Al0.016Si7.98O23.912F0.048Cl0.04
  • Refined Formula: Al0.02Ca1.78Cl0.04F0.05Fe2.76H1.88K0Mg2.38Mn0.03Na0.07O23.91Si7.99
  • Wyckoff Sequence: 12,j7i3h2ga
  • Z Formula Units: 2
  • Density: ρ = 3.25 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

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_1213427

  • 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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