Welcome to CrystalMaker for Windows, version 2.7.

7
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Plotting the structure of ; calculated formula: X 2.00

Plotting the structure of ; calculated formula: X 2.00
X -> X distance = 3.0000 ; vector = [0.0000 0.0000 -1.0000]
X -> X distance = 3.0000 ; vector = [-1.0000 0.0000 0.0000]
X -> X distance = 3.0000 ; vector = [0.0000 -1.0000 0.0000]
X -> X distance = 3.0000 ; vector = [-1.0000 0.0000 0.0000]
X -> X distance = 3.0000 ; vector = [0.0000 0.0000 1.0000]
X -> X distance = 3.0000 ; vector = [-1.0000 0.0000 0.0000]
X -> X distance = 3.0000 ; vector = [0.0000 0.0000 -1.0000]
X -> X distance = 3.0000 ; vector = [0.0000 0.0000 1.0000]
X -> X distance = 2.5981 ; vector = [0.5000 0.5000 -0.5000]
Plotting the structure of ; calculated formula: X 1.00
Plotting the structure of ; calculated formula: X 1.00
------------------------------------------------------------------------
Fractional Coordinates Orthogonal Coordinates
Label Elmt x y z xor[] yor[] zor[]
------------------------------------------------------------------------
1. X X 0.0000 0.0000 0.0000 0.000 0.000 0.000
2. X X 0.5000 0.5000 0.5000 1.245 1.501 1.717
3. X X 1.0000 0.0000 0.0000 2.965 0.017 0.456
4. X X 0.0000 1.0000 0.0000 -0.019 3.000 0.013
5. X X 1.0000 1.0000 0.0000 2.946 3.017 0.469
6. X X 0.0000 0.0000 1.0000 -0.456 -0.016 2.965
7. X X 1.0000 0.0000 1.0000 2.509 0.002 3.421
8. X X 0.0000 1.0000 1.0000 -0.475 2.984 2.978
9. X X 1.0000 1.0000 1.0000 2.490 3.002 3.434
------------------------------------------------------------------------

Bond search from target site: X:

... Found 12 atoms within 0.00 - 3.00 of this site.
Bond Range [] No. Atoms in Range
0 10 20 30 40 50 60
+---------+---------+---------+---------+---------+---------+
2.20 - 2.40 | |
0
2.40 - 2.60 |******** |
8
2.60 - 2.80 | |
0
2.80 - 3.00 |**** |
4
+---------+---------+---------+---------+---------+---------+
0 10 20 30 40 50 60
Bond Range [] No. Atoms in Range

Bond search complete.

Calculated porosity data for 'New Crystal' (*):
Filled space: 18.405 ^3 ( 68.17%) per unit cell
Void space: 8.595 ^3 ( 31.83%) per unit cell
Unit cell volume: 27.000 ^3
(*) Corrected for first-nearest-neighbour sphere overlap and site visibility.