Inorganic Solid Phases

MgHAsO4·7H2O (HMg[AsO4][H2O]7) Crystal Structure

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General Information

  • Phase Label(s): HMg[AsO4][H2O]7
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): rösslerite
  • Pearson Symbol: mS104
  • Space Group: 15
  • Phase Prototype: HMg[AsO4][H2O]7
  • Measurement Detail(s): oscillation and Weissenberg photographs (determination of cell and structural parameters), X-rays, Cu Kα1; λ = 0.154050 nm (determination of cell parameters), X-rays, Cu Kα; λ = 0.154050 nm (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): arsenate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, block-diagonal least-squares refinement; 2065 reflections, R = 0.112
  • Sample Detail(s): rösslerite sample from synthetic, sample prepared from hydrogen arsenate, disodium hydrogen phosphate, single crystal (determination of cell parameters), single crystal, 0.198×0.198×0.243 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: HMg[AsO4][H2O]7
  • Alphabetic Formula: [AsO4]H[H2O]7Mg
  • Published Formula: MgHAsO4·7H2O
  • Refined Formula: AsH15MgO11
  • Wyckoff Sequence: 15,f12e2
  • Z Formula Units: 8
  • Density: ρ = 1.95 Mg·m−3
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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
β11 [nm2]
β22 [nm2]
β33 [nm2]
2β12 [nm2]
2β13 [nm2]
2β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1415808

  • 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)

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