data_global
_chemical_name_mineral 'Seamanite'
loop_
_publ_author_name
'Moore P B'
'Ghose S'
_journal_name_full 'American Mineralogist'
_journal_volume 56 
_journal_year 1971
_journal_page_first 1527
_journal_page_last 1538
_publ_section_title
;
 A novel face-sharing octahedral trimer in the crystal structure of seamanite
;
_database_code_amcsd 0000258
_chemical_formula_sum 'Mn3 P B (O10 H6)'
_cell_length_a 7.811
_cell_length_b 15.114
_cell_length_c 6.691
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 789.909
_exptl_crystal_density_diffrn      3.133
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-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
Mn1   0.27830   0.47580   0.25000   0.00671
Mn2   0.35070   0.64060   0.50160   0.00735
P   0.69310   0.55420   0.25000   0.00380
B   0.00720   0.31460   0.25000   0.00798
O-H1   0.46150   0.36880   0.25000   0.01153
O-H2   0.18620   0.61650   0.25000   0.01013
O-H3   0.03990   0.40990   0.25000   0.01279
O-H4  -0.18460   0.30270   0.25000   0.00874
O-H5   0.08100   0.27390   0.07420   0.01418
O6   0.72460   0.49610   0.06480   0.01153
O7   0.50420   0.58450   0.25000   0.01140
O8   0.81120   0.63400   0.25000   0.01216