Inorganic Solid Phases

CaN2B8O26H32 ([NH4]2CaB8O10[OH]8[H2O]8) Crystal Structure

General Information

  • Phase Label(s): [NH4]2CaB8O10[OH]8[H2O]8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP152
  • Space Group: 19
  • Phase Prototype: [NH4]2CaB8O10[OH]8[H2O]8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS SPIDER (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, borate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; absolute structure determined, full-matrix least-squares refinement on F2; 463 variables; 5534 reflections, R = 0.0273; wR = 0.0662
  • Sample Detail(s): sample prepared from CaCl2[H2O]2, H3BO3, NH3[H2O], chemical analysis; 5.25 wt.% H, 6.66 wt.% Ca, 4.67 wt.% N, 14.27 wt.% B, single crystal (determination of cell parameters), single crystal, 0.15×0.18×0.21 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH4]2CaB8O10[OH]8[H2O]8
  • Alphabetic Formula: B8Ca[H2O]8[NH4]2O10[OH]8
  • Published Formula: CaN2B8O26H32
  • Refined Formula: B8CaH32N2O26
  • Wyckoff Sequence: 19,a37
  • Z Formula Units: 4
  • Density: ρ = 1.65 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_1226610

  • 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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