data_global
_chemical_name_mineral 'Vonsenite'
loop_
_publ_author_name
'Swinnea J S'
'Steinfink H'
_journal_name_full 'American Mineralogist'
_journal_volume 68 
_journal_year 1983
_journal_page_first 827
_journal_page_last 832
_publ_section_title
;
 Crystal structure and Mossbauer spectrum of vonsenite, 2FeO*FeBO3
;
_database_code_amcsd 0000909
_chemical_formula_sum 'Fe3 B O5'
_cell_length_a 9.463
_cell_length_b 12.305
_cell_length_c 3.0727
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 357.792
_exptl_crystal_density_diffrn      4.796
_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
Fe1   0.00000   0.00000   0.00000
Fe2   0.50000   0.00000   0.50000
Fe3   0.00040   0.27416   0.00000
Fe4   0.74430   0.38768   0.50000
B1   0.26830   0.36080   0.50000
O1   0.84310   0.04220   0.50000
O2   0.38760   0.07870   0.00000
O3   0.62270   0.13820   0.50000
O4   0.11290   0.14090   0.00000
O5   0.84020   0.23650   0.50000
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
Fe1 0.00544 0.00591 0.01067 -0.00195 0.00000 0.00000
Fe2 0.01860 0.00568 0.00670 -0.00383 0.00000 0.00000
Fe3 0.00572 0.00537 0.00923 0.00106 0.00000 0.00000
Fe4 0.00603 0.00683 0.00689 0.00136 0.00000 0.00000
B1 0.01361 0.00614 0.00569 -0.00413 0.00000 0.00000
O1 0.00635 0.00537 0.01325 -0.00118 0.00000 0.00000
O2 0.00680 0.00614 0.01062 0.00177 0.00000 0.00000
O3 0.00544 0.00460 0.01320 -0.00236 0.00000 0.00000
O4 0.00499 0.00537 0.01248 0.00059 0.00000 0.00000
O5 0.00499 0.00690 0.01239 -0.00118 0.00000 0.00000