Name and formula

Reference code: 96-900-0108

Mineral name: Sphalerite

Compound name: Sphalerite
Common name: Sphalerite

Chemical formula: Zn4.00S4.00

Crystallographic parameters

Crystal system: Cubic

Space group: F -4 3 m
Space group number: 216

a (Å): 5.4090
b (Å): 5.4090
c (Å): 5.4090
Alpha (°): 90.0000
Beta (°): 90.0000
Gamma (°): 90.0000

Calculated density (g/cm^3): 4.09

Volume of cell (10^6 pm^3): 158.25

RIR: 8.81

Subfiles and quality

Subfiles: User Inorganic

User Mineral
Quality: User From Structure (=)

Comments

Creation Date: 4/5/2013 9:37:28 AM

Modification Date: 4/5/2013 9:37:28 AM
Publication title: Unit-cell edges of natural and synthetic sphalerites Locality: synthetic
COD database code: 9000107

References

Structure: Skinner, B. J., American Mineralogist, 46, 1399 - 1411, (1961)

Peak list
No. h k l d [A] 2Theta[deg] I [%]
1 1 1 1 3.12289 28.560 100.0
 2 0 0 2 2.70450 33.096 9.4
3 0 2 2 1.91237 47.506 58.9
4 1 1 3 1.63087 56.370 37.1
5 2 2 2 1.56144 59.119 2.2
6 0 0 4 1.35225 69.451 8.1
7 1 3 3 1.24091 76.742 12.9
8 0 2 4 1.20949 79.119 2.1
9 2 2 4 1.10411 88.480 15.6

Structure
No. Name Elem. X Y Z Biso sof Wyck.
1 Zn Zn 0.00000 0.00000 0.00000 0.5000 1.0000 4a
2 S S 0.25000 0.25000 0.25000 0.5000 1.0000 4c

Stick Pattern