Tricyanomethanide Crystal Structure and Birefringence Data

2026 data from Bin Chen presents the crystal structure and optical properties of NaC(CN)3. The dataset includes measured birefringence values, such as Δn(011)exp = 0.36@550 nm, and comparisons to commercial crystals like α-BaB2O4.

Use Cases

• Analyze the high in-plane birefringence value (Δn(011)exp) for performance comparisons against commercial crystals.
• Study the polarizability anisotropy enhancement from the linear cyano substitution strategy described in the CIF file.
• Examine the crystal structure data to understand the parallel alignment of super-triangular [C(CN)3]− units.

Strengths

• Includes a specific, high birefringence measurement of Δn(011)exp = 0.36@550 nm.
• Provides first-principles calculations on polarizability anisotropy.
• Data is recent, last updated in March 2026.

Limitations

• Dataset is very small at 141.2 KB, indicating limited scope and likely a single or few crystal structures.
• No row or column count is provided, limiting assessment of data volume and granularity.
• Focus is on a specific, novel compound, limiting generalizability to other materials.

Provenance

Source

Bin Chen via figshare.

Collection Method

Experimental measurement and first-principles calculations from a published study.

Freshness

Last updated 2026-03-24.