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 258
_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 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_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   0.2783  0.4758  0.25  0.00671
Mn2   0.3507  0.6406  0.5016  0.00735
P   0.6931  0.5542  0.25  0.0038
B   0.0072  0.3146  0.25  0.00798
O-H1   0.4615  0.3688  0.25  0.01153
O-H2   0.1862  0.6165  0.25  0.01013
O-H3   0.0399  0.4099  0.25  0.01279
O-H4   -0.1846  0.3027  0.25  0.00874
O-H5   0.081  0.2739  0.0742  0.01418
O6   0.7246  0.4961  0.0648  0.01153
O7   0.5042  0.5845  0.25  0.0114
O8   0.8112  0.634  0.25  0.01216