data_global
_chemical_name_mineral 'Ludwigite'
loop_
_publ_author_name
'Holtstam D'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 2001 
_journal_year 2001
_journal_page_first 520
_journal_page_last 528
_publ_section_title
;
 Crystal chemistry of a manganian ludwigite
 Note: z-coordinate has been altered through personal communication with the author
;
_database_code_amcsd 0014914
_chemical_compound_source 'Jakobsberg Fe-Mn oxide deposit, Filipstad, Varmland, Sweden'
_chemical_formula_sum 'Mg3.91 Fe1.11 Mn.54 Al.44 B2 O10'
_cell_length_a 9.240
_cell_length_b 12.362
_cell_length_c 2.9869
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 341.178
_exptl_crystal_density_diffrn      3.701
_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
_atom_site_U_iso_or_equiv
Mgl   0.50000   0.50000   0.50000   1.00000   0.00500
Mg2   0.50000   0.00000   0.00000   0.91000   0.00720
Fe2   0.50000   0.00000   0.00000   0.09000   0.00720
Mg3   0.00230   0.28090   0.50000   1.00000   0.00650
Fe4  -0.26090   0.38400   0.00000   0.51000   0.00620
Mn4  -0.26090   0.38400   0.00000   0.27000   0.00620
Al4  -0.26090   0.38400   0.00000   0.22000   0.00620
B   0.27390   0.36020   0.00000   1.00000   0.00550
O1   0.35040   0.45660   0.00000   1.00000   0.00830
O2  -0.11930   0.42340   0.50000   1.00000   0.00870
O3   0.12540   0.35870   0.00000   1.00000   0.00700
O4   0.11140   0.14440   0.50000   1.00000   0.00630
O5   0.35170   0.26250   0.00000   1.00000   0.00700