data_global
_chemical_name_mineral 'Manganese-beta'
loop_
_publ_author_name
'Shoemaker C B'
'Shoemaker D P'
'Hopkins T E'
'Yindepit S'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 34 
_journal_year 1978
_journal_page_first 3573
_journal_page_last 3576
_publ_section_title
;
 Refinement of the structure of beta-manganese and of related phase in the
 Mn-Ni-Si system
;
_database_code_amcsd 0009651
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mn5'
_cell_length_a 6.315
_cell_length_b 6.315
_cell_length_c 6.315
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 251.837
_exptl_crystal_density_diffrn      7.245
_symmetry_space_group_name_H-M 'P 41 3 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-z,1/2+x,1/2-y'
  '-y,1/2+z,1/2-x'
  '-x,1/2+y,1/2-z'
  '1/4-x,3/4+z,1/4+y'
  '1/4-z,3/4+y,1/4+x'
  '1/4-y,3/4+x,1/4+z'
  '3/4-x,3/4-z,3/4-y'
  '3/4-z,3/4-y,3/4-x'
  '3/4-y,3/4-x,3/4-z'
  '1/2-z,-x,1/2+y'
  '1/2-y,-z,1/2+x'
  '1/2-x,-y,1/2+z'
  '1/2+z,1/2-x,-y'
  '1/2+y,1/2-z,-x'
  '1/2+x,1/2-y,-z'
  '1/4+x,1/4-z,3/4+y'
  '1/4+z,1/4-y,3/4+x'
  '1/4+y,1/4-x,3/4+z'
  '3/4+x,1/4+z,1/4-y'
  '3/4+z,1/4+y,1/4-x'
  '3/4+y,1/4+x,1/4-z'
  'z,x,y'
  'y,z,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn1   0.06361   0.06361   0.06361
Mn2   0.12500   0.20224   0.45224
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
Mn1 0.00723 0.00723 0.00723 0.00000 0.00000 0.00000
Mn2 0.02608 0.00970 0.00970 0.00541 -0.00541 -0.00265