Schallerite
Kato T, Watanabe I
Yamaguchi University, College of Arts Bulletin 26 (1992) 51-63
The crystal structures of schallerite and friedelite
Locality: Franklin, New Jersey
_database_code_amcsd 0015710
13.420 13.420 14.320 90 90 120 P6_3
atom      x      y      z occ Biso
Mn1     1/3    2/3  .1039      .30
Mn2   .0809 -.0809  .1130      .30
Mn3  -.1756  .1653  .0999      .36
Mn4  -.4138  .4169  .0860      .30
Mn5   .0907  .4240  .0972      .30
Mn6   .3346  .4133  .0909      .55
Si1   .2418 -.0044 -.0988      .30
Si2   .2349  .2265 -.0940      .30
Si3   .4460  .0974  .2873     2.04
Si4   .4250  .3423  .2839      .87
As1   .4993 -.5166  .4057 1/3 1.86
As2   .2503 -.2428  .3966 2/3  .86
O1    .2511 -.0060  .0133      .30
O2    .2520  .2586  .0181      .30
O3    .4190  .0826  .1779      .30
O4    .4178  .3322  .1705      .30
O5    .3422 -.0012 -.1452     3.01
O6    .3412  .3450 -.1427     2.37
O7   -.1136  .1129 -.1392     1.95
O8    .1222 -.1254 -.1244     3.92
O9   -.2185  .2146  .3122     1.01
O10   .5452 -.5561  .3387     3.29
O11   .4993  .5928  .3437      .30
O12   .3625  .4556  .3169      .30
O13     1/3    2/3  .2792      .30
OH1   .5002 -.5068  .0202 2/3 3.32
O1b   .5002 -.5068  .0202 1/3 3.32
OH2  -.0621  .0583  .1516 1/3 1.84
O2b  -.0621  .0583  .1516 2/3 1.84
OH3  -.2419  .2555  .0201      .30
OH4   .1593 -.1664  .1725      .30
OH5   .4257 -.4175  .1853      .55
OH6     2/3    1/3  .1643      .30
OH7   .2553 -.2521  .0289      .30
OH8       0      0      0      .30