Inorganic Solid Phases

(K1−n−x)2(Mg1−n[Al,Cr]n)2Si2O7H2x (H0.9K1.0Mg1.9Cr0.04Al0.06[Si2O7]) Crystal Structure

General Information

  • Phase Label(s): H0.9K1.0Mg1.9Cr0.04Al0.06[Si2O7]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP34
  • Space Group: 185
  • Phase Prototype: H0.9K1.0(Mg0.95Cr0.02Al0.03)2[Si2O7]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P4 SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071070 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): disilicate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 138 reflections; F > 4σ(F), R = 0.018; wR = 0.051
  • Sample Detail(s): sample prepared from diopside, NaCrSi2O6, SiO2, K2CO3[H2O], electron microprobe analysis; K1.03Na0.05(Mg0.92Al0.03Cr0.01)Si1.97O7H1.10; multi-phase sample, single crystal (determination of cell parameters), single crystal, 0.020×0.020×0.030 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H0.9K1.0Mg1.9Cr0.04Al0.06[Si2O7]
  • Alphabetic Formula: Al0.06Cr0.04H0.9K1.0Mg1.9[Si2O7]
  • Published Formula: (K1−n−x)2(Mg1−n[Al,Cr]n)2Si2O7H2x
  • Refined Formula: Al0.06Cr0.04K1.30Mg1.90O7Si2
  • Wyckoff Sequence: 185,dc2ba3
  • Z Formula Units: 2
  • Density: ρ = 2.96 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]
2U12 [nm2]
2U13 [nm2]
2U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1811894

  • 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