Inorganic Solid Phases

Ca2Mn2+2(OH)4[B4O7(OH)2] (Ca2Mn2B4O7[OH]6) Crystal Structure

General Information

  • Phase Label(s): Ca2Mn2B4O7[OH]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): roweite
  • Pearson Symbol: oP84
  • Space Group: 55
  • Phase Prototype: Ca2Mn2B4O7[OH]6
  • Measurement Detail(s): automatic diffractometer; Philips PAILRED (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, borate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1677 reflections; I > 2σ(I), R = 0.16
  • Sample Detail(s): roweite sample from U.S.A. New Jersey, Sussex County, Franklin Furnace, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca2Mn2B4O7[OH]6
  • Alphabetic Formula: B4Ca2Mn2O7[OH]6
  • Published Formula: Ca2Mn2+2(OH)4[B4O7(OH)2]
  • Refined Formula: B4Ca2H6Mn2O13
  • Wyckoff Sequence: 55,i6h5g3ca
  • Z Formula Units: 4
  • 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1615563

  • 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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