data_global
_chemical_name_mineral 'Fredrikssonite'
loop_
_publ_author_name
'Burns P C'
'Cooper M A'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 32 
_journal_year 1994
_journal_page_first 397
_journal_page_last 403
_publ_section_title
;
 Jahn-Teller-distorted MnO6 octahedra in fredrikssonite, the fourth polymorph
 of Mg2Mn(BO3)O2
;
_database_code_amcsd 0005368
_chemical_formula_sum 'Mg3.92 Fe.48 Mn1.56 Al.04 B2 O10'
_cell_length_a 9.198
_cell_length_b 12.528
_cell_length_c 2.965
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 341.664
_exptl_crystal_density_diffrn      3.796
_symmetry_space_group_name_H-M 'P b a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  'x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg1   0.00000   0.00000   0.00000   1.00000
Mg2   0.50000   0.00000   0.50000   0.92000
Fe2   0.50000   0.00000   0.50000   0.08000
Mg3   0.00480   0.28000   0.00000   1.00000
Mn4   0.74115   0.38458   0.50000   0.78000
Fe4   0.74115   0.38458   0.50000   0.20000
Al4   0.74115   0.38458   0.50000   0.02000
B   0.27820   0.35980   0.50000   1.00000
O1   0.85360   0.04490   0.50000   1.00000
O2   0.38070   0.07860   0.00000   1.00000
O3   0.62770   0.14230   0.50000   1.00000
O4   0.11300   0.14220   0.00000   1.00000
O5   0.85590   0.23490   0.50000   1.00000
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
Mg1 0.00570 0.00580 0.00690 -0.00070 0.00000 0.00000
Mg2 0.00710 0.00540 0.00750 0.00140 0.00000 0.00000
Fe2 0.00710 0.00540 0.00750 0.00140 0.00000 0.00000
Mg3 0.00620 0.00540 0.00670 0.00090 0.00000 0.00000
Mn4 0.00440 0.00530 0.00540 -0.00010 0.00000 0.00000
Fe4 0.00440 0.00530 0.00540 -0.00010 0.00000 0.00000
Al4 0.00440 0.00530 0.00540 -0.00010 0.00000 0.00000
B 0.00880 0.00730 0.00270 -0.00060 0.00000 0.00000
O1 0.00650 0.00760 0.00800 0.00150 0.00000 0.00000
O2 0.00690 0.00520 0.00830 -0.00060 0.00000 0.00000
O3 0.00580 0.00610 0.00930 0.00010 0.00000 0.00000
O4 0.00640 0.00700 0.00820 0.00030 0.00000 0.00000
O5 0.00650 0.00700 0.00870 -0.00160 0.00000 0.00000