47
Zr Si O_4 & Zircon & I4_1/amd & D_{4h}^{19} & #141 & cP12 & Robinson et al. Ame
Si     0.00000000    -1.65175000     3.73875000
Zr     0.00000000    -1.65175000     6.72975000
Zr     0.00000000     1.65175000     5.23425000
Si     3.30350000     1.65175000     6.72975000
O      2.08847270     1.65175000     5.65478460
O      0.00000000    -0.43672270     4.81371540
O      2.08847270    -1.65175000     6.30921540
Si     0.00000000     4.95525000     3.73875000
Zr     0.00000000     4.95525000     6.72975000
O      0.00000000     3.74022270     4.81371540
O      2.08847270     4.95525000     6.30921540
Zr     3.30350000    -1.65175000     2.24325000
Si     6.60700000    -1.65175000     3.73875000
O      3.30350000    -0.43672270     4.15928460
O      1.21502730    -1.65175000     2.66378460
O      5.39197270    -1.65175000     2.66378460
Zr     6.60700000    -1.65175000     6.72975000
Zr     6.60700000     1.65175000     5.23425000
Si     3.30350000    -1.65175000     5.23425000
O      4.51852730     1.65175000     5.65478460
O      6.60700000    -0.43672270     4.81371540
O      4.51852730    -1.65175000     6.30921540
Zr     0.00000000    -1.65175000     0.74775000
Si     3.30350000     1.65175000     0.74775000
O      0.00000000     0.43672270     1.16828460
O      0.00000000     2.86677730     1.16828460
Zr     3.30350000     1.65175000     3.73875000
Zr     3.30350000     4.95525000     2.24325000
Si     0.00000000     1.65175000     2.24325000
Si     6.60700000     4.95525000     3.73875000
O      3.30350000     3.74022270     4.15928460
O      1.21502730     4.95525000     2.66378460
O      5.39197270     4.95525000     2.66378460
O      3.30350000     2.86677730     1.82271540
O      3.30350000     0.43672270     1.82271540
O      5.39197270     1.65175000     3.31821540
O      1.21502730     1.65175000     3.31821540
Zr     6.60700000     4.95525000     6.72975000
Si     3.30350000     4.95525000     5.23425000
O      6.60700000     3.74022270     4.81371540
O      4.51852730     4.95525000     6.30921540
Zr     0.00000000     4.95525000     0.74775000
Zr     6.60700000    -1.65175000     0.74775000
O      6.60700000     0.43672270     1.16828460
O      6.60700000     2.86677730     1.16828460
Si     6.60700000     1.65175000     2.24325000
Zr     6.60700000     4.95525000     0.74775000


****************************************


Primitive vectors
a(1) =   6.60700000  0.00000000  0.00000000
a(2) =   0.00000000  6.60700000  0.00000000
a(3) =   3.30350000  3.30350000  2.99100000


Volume = 130.56447496


Reciprocal vectors
b(1) =   0.15135462  0.00000000 -0.16716817
b(2) =   0.00000000  0.15135462 -0.16716817
b(3) =   0.00000000  0.00000000  0.33433634


Basis Vectors:
Atom    Lattice Coordinates                Cartesian Coordinates

Zr -0.12500000 -0.37500000  0.25000000     0.00000000 -1.65175000  0.74775000
Zr  0.12500000  0.37500000 -0.25000000     0.00000000  1.65175000 -0.74775000
Si -0.37500000 -0.12500000 -0.25000000    -3.30350000 -1.65175000 -0.74775000
Si  0.37500000  0.12500000  0.25000000     3.30350000  1.65175000  0.74775000
O  -0.19530000 -0.12920000  0.39060000     0.00000000  0.43672270  1.16828460
O  -0.19530000  0.23860000  0.39060000     0.00000000  2.86677730  1.16828460
O  -0.26140000  0.30470000 -0.10940000    -2.08847270  1.65175000 -0.32721540
O   0.37080000  0.30470000 -0.10940000     2.08847270  1.65175000 -0.32721540
O   0.19530000  0.12920000 -0.39060000     0.00000000 -0.43672270 -1.16828460
O   0.19530000 -0.23860000 -0.39060000     0.00000000 -2.86677730 -1.16828460
O   0.26140000 -0.30470000  0.10940000     2.08847270 -1.65175000  0.32721540
O  -0.37080000 -0.30470000  0.10940000    -2.08847270 -1.65175000  0.32721540