Scribd
Upload
6 views3 pages

Ti Alpha

The document provides detailed information about Titanium - Alpha, including its chemical formula (Ti1), crystallographic parameters, and structural characteristics. It describes the crystal system as hexagonal with a space group of P 63/m m c, and includes data on density, cell volume, and temperature stability. Additionally, it lists peak data, references, and structural details relevant to the compound's properties and behavior at various temperatures.

Uploaded by

Nidhi Kushwaha
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as RTF, PDF, TXT or read online on Scribd
6 views3 pages

Ti Alpha

The document provides detailed information about Titanium - Alpha, including its chemical formula (Ti1), crystallographic parameters, and structural characteristics. It describes the crystal system as hexagonal with a space group of P 63/m m c, and includes data on density, cell volume, and temperature stability. Additionally, it lists peak data, references, and structural details relevant to the compound's properties and behavior at various temperatures.

Uploaded by

Nidhi Kushwaha
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as RTF, PDF, TXT or read online on Scribd

Name and formula

Reference code: 98-004-3416

Compound name: Titanium - Alpha


Common name: Titanium - Alpha

Chemical formula: Ti1

Crystallographic parameters
Crystal system: Hexagonal
Space group: P 63/m m c
Space group number: 194

a (Å): 2.9510
b (Å): 2.9510
c (Å): 4.6840
Alpha (°): 90.0000
Beta (°): 90.0000
Gamma (°): 120.0000

Calculated density (g/cm^3): 4.50


Measured density (g/cm^3): 4.54
Volume of cell (10^6 pm^3): 35.33
Z: 2.00

RIR: 6.94

Subfiles and quality


Subfiles: User Inorganic
User Metallic
Quality: User From Structure (=)

Comments
Creation Date: 07/15/00
Modification Date: 08/01/12
Original ICSD space group: P63/MMC. Stable up to 1153 K (3rd ref., Tomaszewski), above
Im3-m, m.p. 1940 K
Cell at 920 K: 2.9670, 4.7314
Cell at 656 K: 2.9593, 4.7012, at 774 K: 2.9634, 4.7102. Cell at 386 K:
2.9526, 4.6882, at 523 K: 2.9558, 4.6945. At least one
temperature factor missing in the paper.. No R value given in
the paper.. X-ray diffraction from single crystal. Structure
type : Mg. Temperature in Kelvin: 298. The structure has been
assigned a PDF number (experimental powder diffraction
data): 44-1294. The structure has been assigned a PDF
number (calculated powder diffraction data): 01-089-2762.
Structure type: Mg. Recording date: 7/15/2000. Modification
date: 8/1/2012. ANX formula: N. Z: 2. Authors density: 4.54.
Calculated density: 4.5. Pearson code: hP2. Wyckoff code: c.
PDF code: 00-044-1294
Publication title: The lattice constants of high purity alpha titanium
ICSD collection code: 43416
Structure: Mg
Chemical Name: Titanium - Alpha
Second Chemical Formula: Ti

References
Structure: Wood, R.M., Phase Transition, 38, 127 - 220, (1992)

Peak list
No. h k l d [A] 2Theta[deg] I [%]
1 0 1 0 2.55564 35.085 25.1
2 0 0 2 2.34200 38.405 25.5
3 0 1 1 2.24344 40.163 100.0
4 0 1 2 1.72664 52.991 13.3
5 1 1 0 1.47550 62.941 14.5
6 0 1 3 1.33236 70.641 14.5
7 0 2 0 1.27782 74.145 2.0
8 1 1 2 1.24840 76.199 15.0
9 0 2 1 1.23277 77.343 10.7
10 0 0 4 1.17100 82.267 2.0
11 0 2 2 1.12172 86.741 2.6

Structure
No. Name Elem. X Y Z Biso sof Wyck.
1 TI1 Ti 0.33333 0.66667 0.25000 0.5000 1.0000 2c

Stick Pattern

You might also like