Solongoite
Yamnova N A, Simonov M A, Belov N V
Soviet Physics Crystallography 22 (1977) 356-357
Refined crystal structure of solongoite Ca2[B3O4(OH)4]Cl
_database_code_amcsd 0015575
7.975 12.571 7.237 90 90 86.14 P2_1/b
atom      x      y      z Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Ca1  .09054 .23788 .15660  .75 .003001 .001001 .004296  .000100  .000000  .000468
Ca2  .51673 .29785 .35715  .68 .004304 .000731 .002864 -.000025 -.000608  .000055
B1    .7950  .3901 -.0006  .61 .003238 .000556 .003628  .000075 -.000564 -.000110
B2    .4002  .0851  .2253  .63 .003356 .000636 .003341  .000000  .000130  .000165
B3    .3300  .4280  .0873  .64 .003119 .000842 .003580  .000150  .000304 -.000110
O2    .3374  .3207  .0738  .71 .003988 .000572 .004105  .000050  .000347 -.000083
O5    .4274  .4736  .2227  .68 .004107 .000540 .004057  .000401 -.000608 -.000441
O6    .3236  .1518  .3726  .65 .003593 .000572 .003628 -.000025  .001042 -.000275
O8    .7753  .5067  .0223  .79 .004383 .000667 .004582  .000100 -.001259  .000000
Oh1   .2902  .0957  .0567  .81 .004146 .001065 .003628  .000025 -.000781  .000165
Oh3   .5577  .1327  .1692  .78 .003238 .001160 .004296 -.000426  .001085  .000083
Oh4   .7812  .3372  .1823  .85 .005449 .001128 .002625  .000125 -.000174  .000413
Oh7   .0301  .1385  .4264  .76 .002764 .001033 .004678 -.000025  .000000  .000055
H1     .239   .054   .042    6
H2     .971   .100   .431    4
H3     .822   .359   .258    3
H4     .642   .106   .203    5
Cl    .1006 .38567  .4360 1.50 .007424 .001780 .008115 -.000777  .001693 -.000303