data_global
_chemical_name_mineral 'Trimerite'
loop_
_publ_author_name
'Klaska K H'
'Jarchow O'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 145 
_journal_year 1977
_journal_page_first 46
_journal_page_last 65
_publ_section_title
;
 Die Bestimmung der kristallstruktur von trimerit CaMn2(BeSiO4)3
 und das trimeritgesetz der verzwillingung
;
_database_code_amcsd 0010789
_chemical_compound_source 'Langban, Varmland, Sweden'
_chemical_formula_sum 'Ca Mn2 Be3 Si3 O12'
_cell_length_a 8.098
_cell_length_b 7.613
_cell_length_c 14.065
_cell_angle_alpha 90
_cell_angle_beta 90.0
_cell_angle_gamma 90
_cell_volume 867.108
_exptl_crystal_density_diffrn      3.472
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca   0.75040   0.00180   0.24920   0.00773
Mnl   0.23840   0.03830   0.07260   0.00811
Mn2   0.25920   0.46330   0.08990   0.00697
Bel   0.08050   0.16260   0.23600   0.00785
Be2   0.89740   0.66150   0.07900   0.00633
Be3   0.56330   0.16350   0.09170   0.00798
Sil   0.08030   0.77180   0.23350   0.00507
Si2   0.89010   0.27280   0.07670   0.00494
Si3   0.56000   0.77040   0.09310   0.00507
O1   0.57660   0.25860   0.19390   0.00684
O2   0.92120   0.26070   0.19090   0.00709
O3   0.74750   0.75850   0.13540   0.00722
O4   0.25220   0.25310   0.20300   0.00811
O5   0.06510   0.23820   0.02220   0.00760
O6   0.43030   0.26160   0.02160   0.00798
O7   0.05920   0.63120   0.14760   0.01001
O8   0.74770   0.13420   0.04510   0.01039
O9   0.44230   0.63220   0.14930   0.01013
O10   0.07760   0.96780   0.18460   0.01077
O11   0.82140   0.46970   0.05130   0.01001
O12   0.48660   0.96770   0.11370   0.00988
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ca 0.00907 0.00426 0.00962 0.00031 0.00035 -0.00016
Mnl 0.00914 0.00590 0.00842 0.00047 0.00098 -0.00005
Mn2 0.01000 0.00505 0.00571 0.00062 -0.00075 -0.00027
Bel 0.00764 0.01116 0.00641 0.00031 0.00000 -0.00108
Be2 0.00731 0.00940 0.00431 -0.00094 0.00000 -0.00054
Be3 0.00664 0.00969 0.00762 -0.00094 0.00058 0.00000
Sil 0.00402 0.00766 0.00401 -0.00006 0.00029 -0.00022
Si2 0.00379 0.00802 0.00381 -0.00009 0.00040 0.00005
Si3 0.00395 0.00781 0.00411 0.00000 0.00058 0.00005
O1 0.00598 0.01028 0.00551 -0.00031 0.00052 -0.00065
O2 0.00731 0.01057 0.00451 0.00031 0.00000 0.00027
O3 0.00598 0.00940 0.00702 0.00000 -0.00173 -0.00054
O4 0.00631 0.01116 0.00752 -0.00031 -0.00029 0.00071
O5 0.00731 0.00969 0.00661 0.00094 0.00092 0.00098
O6 0.00864 0.00969 0.00401 0.00062 0.00000 0.00000
O7 0.00963 0.01086 0.00992 0.00062 -0.00098 -0.00114
O8 0.00930 0.01086 0.01012 -0.00062 0.00069 -0.00119
O9 0.01196 0.01057 0.00792 -0.00125 0.00110 0.00000
O10 0.01462 0.00646 0.00872 0.00000 0.00098 0.00000
O11 0.01096 0.00763 0.01082 0.00000 -0.00058 0.00038
O12 0.01063 0.00822 0.01102 0.00062 0.00029 -0.00022