Congolite
Dowty E, Clark J R
Zeitschrift fur Kristallographie 138 (1973) 64-99
Crystal-structure refinements for orthorhombic boracite,
Mg3B7O13Cl, and a trigonal, iron-rich analogue
Locality: Bischofferode, Thuringen, Germany
_database_code_amcsd 0010745
8.612 8.612 21.0650 90 90 120 R3c
atom     x     y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe   .1480 .2971   .327  .8  .74  .0034  .0038 .00038  .0019  .0001  .0003
Mg   .1480 .2971   .327  .2  .74  .0034  .0038 .00038  .0019  .0001  .0003
B11   .162 -.169  .0828      .59  .0024  .0057  .0002  .0032 -.0003 -.0004
B2    .099 -.105 -.0286      .78  .0011  .0043  .0002  .0006 -.0006 -.0009
B3       0     0   .102      .96  .0028  .0028  .0009  .0014      0      0
O1       0     0 -.0126      .70  .0023  .0023  .0006  .0011      0      0
O21  -.160 -.001  .1056      .59  .0018  .0024  .0004  .0009 -.0002 -.0002
O22   .289 0.261 -.0353      .64  .0024  .0035  .0003  .0014 -.0001 -.0003
O23   .199 -.022 -.0869      .67  .0025  .0030  .0001 -.0005 -.0001 -.0001
O24  -.306 -.226  .0204      .66  .0049  .0012  .0003  .0011  .0001  .0003
Cl       0     0  .2654     1.16  .0050   .005  .0007  .0025      0      0