[Kalzium] Kalziums datastructure

Carsten Niehaus cniehaus at gmx.de
Tue Sep 13 14:40:25 CEST 2005


The element starts
<element>
	
The number of the element (# of protons)
        <number>1</number>

Name and origin of the name of the element
        <name origin="Greek 'hydro' and 'gennao' for 'forms 
water'">Hydrogen</name>

Symbol
        <symbol>H</symbol>

Period of the element
        <period>1</period>

A list of spectra start. Emissionspectra
        <spectra>

On specific spectrum. "intensity" is relative to the strongest line which has 
1000
            <spectrum intensity="50" wavelength="949.7430" aki="0.34375" 
energy1="0.0000" energy2="105291.6443" electronconfig1="1s" 
electronconfig2="5p" term1="2S" term2="2P&deg;" J1="1/2" J2="1/2.3/2" />
        </spectra>

Average mass
        <mass>1.00794</mass>

Block (s,p,d,f)
	<block>s</block>

Acid, basic, amphoteric
        <acidicbehaviour>1</acidicbehaviour>

Who discovered it when?
        <date scientist="C. Cavendish">1766</date>

can be 0 to 5. Means "is essential for human" for example
        <biologicalmeaning></biologicalmeaning>

The group 
        <group>1</group>

EA in eV
        <electronaffinity>-73</electronaffinity>

EN
        <electronegativity>2.1</electronegativity>

MP in K
        <meltingpoint>13.81</meltingpoint>

BP in K
        <boilingpoint>20.28</boilingpoint>

List of isotopes start
        <isotopes>

One specific isotope. There are different decay (alpha, beta-, beta+ and EC). 
If the percentage is 25% it means that if there is a decay chances are 25% 
that it is alphadecay. 
magmoment is magnetic mom
halflive is in seconds if possible. If that value is to long in years.
            <isotope alphapercentage="" alphadecay="" betapluspercentage="" 
betaplusdecay="" betaminuspercentage="" betaminusdecay="" ecpercentage="" 
ecdecay="" spin="1/2+" magmoment="+2.792846" halflife="" 
halflifeformat="seconds" weight="1.007825" neutron="0" percentage="99.985" />
        </isotopes>

density in g/cm^ 3
        <density>0.084</density>

list of ionisationenergies
        <ionisationenergy>

if there are 3 values they represent the 1., 2nd, and 3rd IO-energy. Value in 
eV
            <energy>13.598</energy>
        </ionisationenergy>

All radii are in pm
	<radius>
Covalent radius
            <covalent>37.3</covalent>

Atomic radius
            <atomic>25</atomic>

van der Waals Radius
            <vdw>120</vdw>

this is for Helium for Example the bond in He-He, for Oxygen the bond in O-O
            <bondxx>74.130</bondxx>

Ionic radius of an -1 ion in this example
            <ionic charge="-1">208</ionic>
        </radius>

Orbital structure
        <orbits>1s1</orbits>

Prefered oxydationsates, those in () mean they are rare
        <oxydation>+1.(-1)</oxydation>

There are nine families:
	    "Noblegas"
            "Non-Metal"
            "Rare_Earth"
            "Alkaline_Earth"
            "Alkali_Earth"
            "Transition" 
            "Other_Metal"
            "Halogene"
        <family>Non-Metal</family>

ppm in the first 16km of the earth
        <abundance>1520</abundance>

prefered crystal lattice. (ccp, hdp, bbc, own, unknown)
	<crystalstructure>hcp</crystalstructure>

    </element>
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