Table 4 (for deposit). Anisotropic displacement parameters for vesuvianite NC14-2 in space group P4/n.

atom

U11

U22

U33

U12

U13

U23

Ca1

0.0116(6)

0.0070(6)

0.0073(6)

0.000(1)

0

0

Ca2a

0.0090(8)

0.0093(8)

0.0096(7)

0.0021(6)

-0.0004(6)

0.0008(6)

Ca2b

0.0066(8)

0.0145(9)

0.0053(7)

-0.0001(6)

-0.0016(6)

0.0002(5)

Ca3a

0.018(1)

0.0113(9)

0.0208(8)

0.0084(6)

-0.0061(7)

-0.0051(6)

Ca3b

0.0106(8)

0.0165(9)

0.0160(7)

-0.0010(6)

-0.0065(6)

0.0040(6)

O1a

0.007(3)

0.005(2)

0.011(2)

0.001(2)

-0.003(2)

-0.001(2)

O1b

0.012(3)

0.018(3)

0.007(2)

0.000(2)

0.004(2)

0.003(2)

O2a

0.009(3)

0.010(3)

0.006(2)

-0.001(2)

0.000(2)

0.000(2)

O2b

0.011(3)

0.011(3)

0.012(2)

0.000(2)

-0.002(2)

0.004(2)

O3a

0.009(3)

0.016(3)

0.009(2)

-0.001(2)

-0.002(2)

-0.003(2)

O3b

0.010(3)

0.007(3)

0.005(2)

-0.003(2)

-0.002(2)

0.001(2)

O4a

0.009(3)

0.009(3)

0.015(3)

0.005(2)

0.009(2)

0.000(2)

O4b

0.013(3)

0.013(3)

0.007(2)

0.002(2)

0.005(2)

0.001(2)

O5a

0.017(3)

0.013(3)

0.005(2)

-0.009(2)

0.002(2)

-0.003(2)

O5b

0.015(3)

0.010(3)

0.015(3)

0.005(2)

0.004(2)

0.000(2)

O6a

0.029(3)

0.004(3)

0.013(2)

0.002(2)

0.002(2)

0.007(2)

O6b

0.019(3)

0.014(3)

0.011(2)

-0.006(2)

-0.006(2)

-0.003(2)

O7a

0.011(3)

0.013(3)

0.019(3)

0.000(2)

0.003(2)

-0.006(2)

O7b

0.010(3)

0.023(3)

0.010(2)

0.005(2)

0.001(2)

0.005(2)

O8a

0.006(3)

0.009(3)

0.010(2)

-0.003(2)

0.001(2)

0.001(2)

O8b

0.014(3)

0.006(3)

0.013(2)

-0.001(2)

-0.001(2)

-0.005(2)

O9

0.013(3)

0.013(3)

0.005(1)

0.001(1)

0.002(2)

0.002(2)

O10a

0.031(4)

0.031(4)

0.010(5)

0

0

0

O10b

0.024(4)

0.024(4)

0.026(6)

0

0

0

O11a

0.015(3)

0.008(3)

0.004(2)

-0.001(2)

-0.004(2)

0.002(2)

O11b

0.009(3)

0.010(3)

0.011(2)

-0.002(2)

0.001(2)

0.005(2)

CaX’4a

0.010(1)

0.010(1)

0.019(2)

0

0

0

MnY’3a

0.014(1)

0.014(1)

0.017(1)

0

0

0

Table 5. (for deposit) Interatomic distances of P4/n vesuvianite NC14-2 from N’chwaning mine

Si1a - O1a 4x 1.659(5)Si1b - O1b 4x 1.670(5)Si2a - O7a 1.621(6) O3a 1.655(5) O2a 1.662(6) O4a 1.677(5) mean 1.654Si2b- O7b 1.609(6) O3b 1.637(5) O2b 1.640(6) O4b 1.683(5) mean 1.642Si3a- O6a 1.608(5) O8a 1.620(5) O5a 1.631(6) O9 1.668(6) mean 1.632Si3b- O6b 1.606(5) O8b 1.618(5) O5b 1.627(5) O9 1.654(5) mean 1.626Al1a- O11a 2x 1.871(5) O8a 2x 1.905(5) O4a 2x 1.970(5) mean 1.915Al1b- O11b 2x 1.891(5) O8b 2x 1.874(5) O4b 2x 1.960(5) mean 1.908Al2a- O1a 1.945(5) O11a 1.868(5) O2b 1.940(5) O3a 1.965(5) O5a 2.025(6) O4a 2.035(5) mean 1.963Al2b- O1b 1.896(6) O11b 1.870(6) O2a 1.882(5) O3b 1.953(5) O5b 1.953(6) O4b 2.026(5) mean 1.930

Ca1- O1a 2x 2.330(5)

O1b 2x 2.332(5)

O2a 2x 2.490(6)

O2b 2x 2.539(6)

mean 2.423

Ca2a- O8a 2.320(5)

O5a 2.319(5)

O3a 2.366(5)

O4a 2.427(5)

O5b 2.414(5)

O2a 2.460(5)

O1a 2.478(5)

O6a 3.007(6)

mean 2.474

Ca2b O8b 2.308(5)

O5b 2.354(5)

O3b 2.381(5)

O4b 2.449(5)

O5a 2.446(5)

O2b 2.403(6)

O1b 2.520(6)

O6b 2.860(6)

mean 2.465

Ca3a O7a 2.373(5)

O3a 2.429(5)

O11a 2.443(5)

O7a 2.511(5)

O7b 2.543(5)

O6a 2.556(5)

O10a 2.633(1)

O8a 2.590(5)

O6a 3.03(1)

mean 2.490

Ca3b- O7b 2.381(5)

O3b 2.481(5)

O11b 2.497(5)

O7b 2.381(5)

O7a 2.563(5)

O6b 2.450(5)

O10b 2.582(2)

O8b 2.595(5)

O6b 2.996(5)

mean 2.468

X’4a- O6b 4x 2.347(6)

O9 4x 2.604(4)

mean 2.476

X’4b- O6a 4x 2.264(7)

O9 4x 2.609(6)

mean 2.437

Y’3a- O10a 2.09(1)

O6a 4x 2.009(6)

mean 2.025

Y’3b- O10b 2.25(1)

O6b 4x 2.118(6)

mean 2.144