ILVAITE [17], "distorted" structure type - ilvaite, Al, Mn, DN

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.7445
0.0619
0.7499
2.4200
H
2
0.8902
0.0507
0.0077
0.5700
Fe=0.4900
3
0.8901
0.0509
0.4923
0.6000
Fe=0.9600, Al=0.0400
4
0.9408
0.7401
0.2498
0.6100
Fe=0.9200, Mn=0.0800
5
0.8128
0.3702
0.7504
0.6400
Ca
6
0.9595
0.3689
0.2499
0.4200
Si
7
0.6794
0.2272
0.2503
0.4300
Si
8
0.0100
0.0299
0.7487
0.9000
O
9
0.9362
0.2720
0.0170
0.6200
O
10
0.9361
0.2719
0.4829
0.5900
O
11
0.7774
0.1097
0.2505
0.6300
O
12
0.6709
0.3295
0.0183
0.6400
O
13
0.6708
0.3300
0.4816
0.6300
O
14
0.5848
0.1009
0.2503
0.5800
O
15
0.6017
0.0257
0.7503
0.8000
O
16
0.7984
0.1093
0.7490
0.6300
O