Langbanite
Moore P B, Sen Gupta P K, Le Page Y
American Mineralogist 76 (1991) 1408-1425
The remarkable langbanite structure type: Crystal structure, chemical
crystallography and relation to some other cation close-packed structures
_database_code_amcsd 0001397
11.563 11.563 11.100 90 90 120 P31m
atom      x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn1   .8312     0  .9950 0.0167 0.0167 0.0431 0.0117 0.0129 0.0129
Mn2   .5002 .3284  .9878 0.0088 0.0066 0.0130 0.0039 -.0016 -.0002
Sb   .34355     0 .99100 0.0072 0.0072 0.0060 0.0028 -.0009 -.0009
O1        0     0  .0776  0.015  0.015  0.008 0.0075      0      0
O2      2/3   1/3  .0812  0.006  0.006  0.003  0.003      0      0
O3    .4947     0  .0821  0.006  0.006  0.010 -0.003  0.000  0.000
O4    .3458 .1449  .0850  0.009  0.011  0.013  0.007  0.001 -0.001
O5    .1923     0  .9015  0.018  0.018  0.012  0.007  0.000  0.000
O6    .6696     0  .8975  0.015  0.015  0.014  0.008 -0.001 -0.001
O7    .4879 .1489  .8960  0.012  0.015  0.006  0.007  0.002 -0.001
Mn3   .5272     0  .2561 -.0002 -.0002 0.0062 -.0023 -.0005 -.0005
Mn4   .3297 .1550  .2593 0.0062 0.0009 0.0055 0.0030 0.0004 0.0009
Si1       0     0  .2286  0.008  0.008  0.004  0.004      0      0
Si2     2/3   1/3  .2319  0.004  0.004  0.018  0.002      0      0
O8    .1317     0  .2792  0.007  0.007  0.012  0.002  0.004  0.004
O9    .3587     0  .2887  0.000  0.000  0.003 -0.001   .000  0.000
O10   .6996     0  .2259  0.004  0.004  0.016  0.005  0.005  0.005
O11   .5441     0  .4348  0.003  0.003  0.016  0.001 -0.001 -0.001
O12   .5342 .3291  .2821  0.005  0.010  0.003  0.005  0.003 -0.001
O13   .3252 .1841  .4355  0.006  0.007  0.011  0.002 -0.001  0.000
Mn5   .3396     0  .4922 0.0114 0.0114 0.0086  0.007   .000  0.000
Mn6   .8363     0  .4995 0.0073 0.0073 0.0145  0.004  0.002  0.002
Mn7   .4948 .3252  .4862 0.0066 0.0059 0.0097 0.0029 -.0015 -.0007
O14   .1388     0  .5605  0.021  0.021  0.006  0.011  0.001  0.001
O15   .3308     0  .6921  0.052  0.052  0.015  0.027 -0.008 -0.008
O16   .7946     0  .7031  0.087  0.087  0.049  0.072   .000  0.000
O17   .5293 .1929  .5424  0.014  0.010  0.008  0.008  0.003  0.000
O18   .4419 .3127  .6940  0.148  0.216  0.042  0.152  0.019  0.024
Mn8   .1670     0  .7324 0.0343 0.0343 0.0050 0.0282 0.0005 0.0005
Mn9   .5041 .1674  .7212 0.0241 0.0263 0.0081 0.0191 0.0017 0.0019
Si3   .6680     0  .7529  0.009  0.009  0.006  0.004 -0.001 -0.001
O19     2/3   1/3  .7551  0.060  0.060  0.003  0.030      0      0
O20       0     0  .7749  0.242  0.242  -.010  0.121      0      0