Oberti et al. On the symmetry and crystal chemistry of britholite: new structural and microanalytical data

Table 5 Atomic coordinates and anisotropic displacement factors

A - Sample CAPR

ATOM x/a y/b z/c b 11 b 22 b 33 b 12 b 13 b 23

REE1 1/3 2/3 -.00476 0.0036 0.0036 0.0031 0.0018 0.0000 0.0000

REE1a 2/3 1/3 .00001 0.0029 0.0029 0.0044 0.0015 0.0000 0.0000

REE2 0.23780 -0.01160 1/4 0.0042 0.0029 0.0036 0.0020 -0.0001 0.0002

Si 0.39898 0.37182 0.25126 0.0027 0.0024 0.0036 0.0015 -0.0009 -0.0009

O1 0.32287 0.48860 0.25320 0.0084 0.0052 0.0068 0.0054 -0.0013 0.0025

O2 0.59402 0.46955 0.25691 0.0034 0.0034 0.0162 0.0009 -0.0013 -0.0002

O3 0.31684 0.24308 0.42176 0.0160 0.0043 0.0059 0.0061 0.0044 0.0016

O3a 0.35805 0.26045 0.05956 0.0086 0.0061 0.0030 0.0052 -0.0011 -0.0016

O4 0 0 0.23594 0.0075 0.0075 0.0617 0.0037 0.0000 0.0000

B - Sample LOS

ATOM x/a y/b z/c b 11 b 22 b 33 b 12 b 13 b 23

REE1 1/3 2/3 -0.00389 0.0059 0.0059 0.0110 0.0030 0.0000 0.0000

REE1a 2/3 1/3 0.00603 0.0070 0.0070 0.0099 0.0035 0.0000 0.0000

REE2 0.23645 -0.01330 1/4 0.0071 0.0057 0.0094 0.0032 0.0013 0.0001

Si 0.40069 0.37279 0.25636 0.0066 0.0058 0.0092 0.0035 -0.0050 -0.0021

O1 0.32457 0.48677 0.25890 0.0119 0.0092 0.0134 0.0070 0.0065 -0.0015

O2 0.59287 0.46930 0.24393 0.0069 0.0079 0.0224 0.0026 0.0000 0.0011

O3 0.31198 0.24449 0.41744 0.0166 0.0095 0.0176 0.0077 0.0048 0.0012

O3a 0.36497 0.26497 0.06334 0.0105 0.0082 0.0094 0.0057 -0.0024 -0.0021

O4 0 0 0.17714 0.0110 0.0110 0.0952 0.0055 0.0000 0.0000