Ca7H12Cl2 (Ca7Cl2H12, T = 173(2) K) Crystal Structure
General Information
- Phase Label(s): Ca7Cl2H12
- Structure Class(es): –
- Classification by Properties: –
- Mineral Name(s): –
- Pearson Symbol: hP21
- Space Group: 174
- Phase Prototype: Zr2Fe12P7
- Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 173(2) K (determination of cell and structural parameters)
- Phase Class(es): –
- Compound Class(es): chloride, hydride
- Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 29 variables; F > 4σ(F), R = 0.0343; wR = 0.0485
- Sample Detail(s): sample prepared from CaH2, CaCl2, Ca, twinned crystal (determination of cell parameters), twinned crystal, 0.04×0.04×0.15 mm3 (determination of structural parameters)
Substance Summary
- Standard Formula: Ca7Cl2H12
- Alphabetic Formula: Ca7Cl2H12
- Published Formula: Ca7H12Cl2
- Refined Formula: Ca7Cl2H12
- Wyckoff Sequence: 174,k3j3fca
- Z Formula Units: 1
- Density: ρ = 2.16 Mg·m−3
Crystallographic Data
Cell Parameters
Atom Coordinates
Standardized
Published
Displacement Parameters
Isotropic
Anisotropic
Experimental Details
Reference
3D Interactive Structure
About this content
PAULING FILE Multinaries Edition – 2012
sd_1930372
©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016
Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland
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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