Inorganic Solid Phases

K(NaCa)(Mg2.5Ni2.5)Si8O22(OD)2 (KNaCaMg2.5Ni2.5Si8O22[OD]2, T = 623 K) Crystal Structure

General Information

  • Phase Label(s): KNaCaMg2.5Ni2.5Si8O22[OD]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): richterite-D
  • 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; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility, POLARIS (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 623 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide-D, silicate
  • Interpretation Detail(s): positions of non-H atoms determined; temperature dependence studied, Rietveld refinement, wRP = 0.024
  • Sample Detail(s): richterite sample from synthetic, sample prepared from K(NaCa)(Mg2.5Ni2.5)Si8O22[OD]2, D2O, electron microprobe analysis; K0.92(2)Na0.94(4)Ca1.02(3)Mg2.55(4)Ni2.43(5)Si8.05(6)O23 for dehydrated sample, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: KNaCaMg2.5Ni2.5Si8O22[OD]2
  • Alphabetic Formula: CaKMg2.5NaNi2.5O22[OD]2Si8
  • Published Formula: K(NaCa)(Mg2.5Ni2.5)Si8O22(OD)2
  • Refined Formula: CaD2KMg2.50NaNi2.50O24Si8
  • Wyckoff Sequence: 12,j7i3h2ga
  • Z Formula Units: 2
  • Density: ρ = 3.31 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1221396

  • 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