ES203

Lab 1, Examples
 Q1

V = abc (1-cos a-cos b-cos g + 2cosacosbcosg)

2 2 2 1/2

3
Mineral Unit cell a b c α β γ Volume (Å )

Orthoclase KAlSi3O8 Monoclinic 8.59 12.966 7.223 90 116.03 90

Beryl Be3Al2(Si6O18) Hexagonal 9.2 9.2 9.249 90 90 120
Anhydrite CaSO4 Orthorhombic 6.99 7 6.24 90 90 90
Vesuvianite Tetragonal 15.4 15.4 11.8 90 90 90
Exercise 1, Q3
1) Calculate volume as in Q1
2) Calculated volume in step 1 will be in Angstrom
cube, so convert it to centimeter cube by multiplying
by 10-24
3) Calculate Mass, M=(3*Fe+4*O)
4) Then calculate S.G using formula
S.G=Z*M/N*V
MINERAL

• A naturally occurring solid generally formed by

inorganic processes, with an ordered internal
arrangement of atoms and a definite chemical
composition and physical properties that may be
constant or vary within a definite range.

• Mineral composition can be expressed in term of

a chemical formula
Exercise 2
Exercise 2: Determine the weight % of elements for
1) magnetite (Fe2+Fe3+2O4) and 2) Ulvospinel
(Fe2+2TiO4) given that the atomic weights are Fe2+
=55.85, Fe3+ =55.85, Ti=47.9, O=16.
Exercise 2 Example, KAlSi3O8

Steps Results
1. Set up a table with 5 columns, placing the element
name in the first column.
2. In column 2, enter the number of atoms of the
element in the mineral formula.
3. In column 3, enter the atomic weight of each of the
elements in the mineral (if you don't know these,
consult a periodic table).
4. Multiply the value in column 2, by the atomic
weight in column 3, and enter the results in column 4
(in the case of O, 8 x 15.999 = 127.992).
5. Sum the values in the column 4 (and enter the sum
at the bottom; e.g. 278.330)
6. To calculate the weight % of the element in the
mineral, divide the value for the contribution to the
molecular weight (for example, O 127.992), divided by
the sum of the contributions (278.330), and multiply
by 100 (to arrive at 45.99 weight % for O)
Exercise 3
Exercise 3: Based on the exercise 1 and example
calculate the mineral formula of 1) magnetite and 2)
Ulvospinel.
Example: Calculate the subscripts of
Cu, Fe, and S in the mineral
Chalcopyrite
Results
Steps
1. Make a table of 5 columns
2. In First column write elements Elem. At. Wt. Wt. At. Pro Subs
3. In second column write At. Wt. %
4. In third column write Wt. % of each Cu 63.54 34.6 34.62/63.5 0.54/0.54
elements
5. Find out the At. Proportion by diving Wt. 2 4=0.54 =1
% by At. Wt.
Fe 55.85 30.4 30.43/55.8 0.54/0.54
6. Find out the minimum At. Proportion
among elements, then to find out 3 5=0.54 =1
Subscriptions divide atomic proportion
of element by that minimum value and S 32.06 34.9 34.94/32.0 1.08/0.54
round off
4 6=1.08 =2
7. To find out subscript, take the minimum
at proportion of element that you have
and divide atomic proportion of element
in interest with that minimum value and
round off
Exercise 4, Chalcopyrite, CuFeS2
• Like in Exercise, 2