BRITHOLITE-(Y) [1], "distorted" structure type - apatite

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.3338
0.6662
0.0045
2.6300
Y=0.8800, Lu=0.1200
2
0.3329
0.6670
0.5078
0.8700
Ca=0.2000, Y=0.8000
3
0.9947
0.2422
0.2590
1.7900
Y=0.9300, Lu=0.0700
4
0.2423
0.2473
0.7570
1.7500
Y=0.9400, Lu=0.0600
5
0.2473
0.0050
0.2570
1.8500
Y=0.9500, Lu=0.0500
6
0.0260
0.6270
0.2500
1.0100
Si
7
0.3727
0.3992
0.2740
1.1100
Si
8
0.6010
0.9738
0.2501
1.1200
Si
9
0.8321
0.5071
0.2590
2.4000
O
10
0.4910
0.3220
0.2750
2.7000
O
11
0.6751
0.1690
0.2550
2.4000
O
12
0.4030
0.8704
0.2380
1.6000
O
13
0.4680
0.5960
0.2360
1.4000
O
14
0.1300
0.5336
0.2880
1.8000
O
15
0.6280
0.8960
0.0620
1.8000
O
16
0.6860
0.9250
0.4420
2.3000
O
17
0.2660
0.3670
0.0610
1.5000
O
18
0.2370
0.3100
0.4380
3.1000
O
19
0.0751
0.7610
0.0850
2.3000
O
20
0.1020
0.7330
0.4680
1.9000
O
21
0.0002
0.9970
0.2310
5.3000
F=0.9300, OH=0.0700