Inorganic Solid Phases

(K1.37Na0.05Ca0.26Sr0.04)(Ca5.69Mn0.18Fe2+0.03Mg0.01Zn0.01Zr0.01REE0.05Hf0.02)[Si8O22][F1.83(OH)0.04O0.13]·0.10H2O (K1.4Na0.05Sr0.04Ca6Mn0.2Fe0.1Si8O22.13[OH]0.04F1.83[H2O]0.1) Crystal Structure

General Information

  • Phase Label(s): K1.4Na0.05Sr0.04Ca6Mn0.2Fe0.1Si8O22.13[OH]0.04F1.83[H2O]0.1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): miserite
  • Pearson Symbol: aP99
  • Space Group: 2
  • Phase Prototype: K1.4Na0.05Sr0.04Ca6Mn0.2Fe0.1Si8O22.13[OH]0.04F1.83[H2O]0.1
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS X8 KAPPA APEX II (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 428 variables; 6781 reflections; I > 3σ(I), R = 0.0330; wR = 0.0370
  • Sample Detail(s): miserite sample from Russia, Sakha (Yakutia), Murun massif, electron microprobe analysis; (K1.37Na0.05Ca0.26Sr0.04)(Ca5.69Mn0.18Fe2+0.03Mg0.01Zn0.01Zr0.01REE0.05Hf0.02)[Si8O22][F1.83(OH)0.04O0.13]·0.10H2O, twinned crystal (determination of cell parameters), twinned crystal, 0.09×0.20×0.22 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K1.4Na0.05Sr0.04Ca6Mn0.2Fe0.1Si8O22.13[OH]0.04F1.83[H2O]0.1
  • Alphabetic Formula: Ca6F1.83Fe0.1[H2O]0.1K1.4Mn0.2Na0.05O22.13[OH]0.04Si8Sr0.04
  • Published Formula: (K1.37Na0.05Ca0.26Sr0.04)(Ca5.69Mn0.18Fe2+0.03Mg0.01Zn0.01Zr0.01REE0.05Hf0.02)[Si8O22][F1.83(OH)0.04O0.13]·0.10H2O
  • Refined Formula: Ca6F1.97H0.21K1.37O22.11Si8
  • Wyckoff Sequence: 2,i49a
  • Z Formula Units: 2
  • Density: ρ = 2.89 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_1235693

  • 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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