Inorganic Solid Phases

NaCuB7O12·nH2O (NaCuB7O12[H2O] rt) Crystal Structure

General Information

  • Phase Label(s): NaCuB7O12[H2O] rt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP88
  • Space Group: 58
  • Phase Prototype: NaCuB7O12[H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): borate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.038; wRP = 0.053
  • Sample Detail(s): sample prepared from C4H6O4Cu[H2O], Na2B4O7[H2O], H3BO3, chemical analysis; Na/Cu/B ratio 1/1/7, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: NaCuB7O12[H2O]
  • Alphabetic Formula: B7Cu[H2O]NaO12
  • Published Formula: NaCuB7O12·nH2O
  • Refined Formula: B7CuH2NaO13
  • Wyckoff Sequence: 58,h8g4e2
  • Z Formula Units: 4
  • Density: ρ = 2.72 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_1420192

  • 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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