ANORTHITE [5], Mn-analogue, DF

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.2716
0.0299
0.1023
0.0700
Ca=0.7150, Mn=0.1960, Na=0.0450
2
0.2738
0.0375
0.0887
0.0200
Mn=0.1440, Ca=0.3580, Na=0.0210
3
0.2681
0.0101
0.1407
0.0400
Ca=0.1790
4
0.2692
-0.0275
0.1807
0.0400
Ca=0.0520, Ca=0.1790, Na=0.0240
5
0.0055
0.1595
0.2142
0.0100
Al=0.5570, Si=0.4430
6
0.0011
0.8158
0.2320
0.0100
Al=0.4340, Si=0.5660
7
0.6816
0.1076
0.3139
0.0100
Al=0.4550, Si=0.5450
8
0.6766
0.8780
0.3598
0.0100
Al=0.4650, Si=0.5350
9
0.0049
0.1264
0.9785
0.0200
O
10
0.5712
0.9898
0.2767
0.0200
O
11
0.8094
0.0976
0.1809
0.0300
O
12
0.8118
0.8533
0.2435
0.0300
O
13
0.0119
0.2857
0.2884
0.0200
O
14
0.0073
0.6853
0.2057
0.0200
O
15
0.1995
0.1037
0.3765
0.0200
O
16
0.1898
0.8646
0.4333
0.0300
O