Inorganic Solid Phases

NaCa2Fe2+2(Fe3+Mg)Mn2(PO4)6(H2O)2 (NaCa2MgMn2Fe3[PO4]6[H2O]2) Crystal Structure

General Information

  • Phase Label(s): NaCa2MgMn2Fe3[PO4]6[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): maneckiite
  • Pearson Symbol: oP180
  • Space Group: 61
  • Phase Prototype: NaCa2(Mg0.25Fe0.75)4Mn2[PO4]6[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II ULTRA (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 2612 reflections; F > 4σ(F), R = 0.0179; wR = 0.0517
  • Sample Detail(s): maneckiite sample from Poland, Lower Silesia, Gory Sowie Block, Michalkowa, electron microprobe analysis; (Na0.910.09)(Ca1.98Sr0.01)(Fe2+1.77Mg0.23)(Fe3+1.09Mg0.91)(Mn1.65Fe2+0.35)[PO4]6[H2O]2, single crystal (determination of cell parameters), single crystal, 0.025×0.040×0.060 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NaCa2MgMn2Fe3[PO4]6[H2O]2
  • Alphabetic Formula: Ca2Fe3[H2O]2MgMn2Na[PO4]6
  • Published Formula: NaCa2Fe2+2(Fe3+Mg)Mn2(PO4)6(H2O)2
  • Refined Formula: Ca2Fe2.53H4Mg1.55Mn1.92Na0.90O26P6
  • Wyckoff Sequence: 61,c22a
  • Z Formula Units: 4
  • Density: ρ = 3.56 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_1243846

  • 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