data_9011197
_publ_section_title
;
 Refinement of the structure of beta-manganese and of related phase in the
 Mn-Ni-Si system
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3573
_journal_page_last               3576
_journal_paper_doi               10.1107/S0567740878011620
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            Mn
_chemical_name_mineral           Manganese-beta
_space_group_IT_number           213
_symmetry_space_group_name_Hall  'P 4bd 2ab 3'
_symmetry_space_group_name_H-M   'P 41 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.315
_cell_length_b                   6.315
_cell_length_c                   6.315
_cell_volume                     251.837
_exptl_crystal_density_diffrn    7.245
_cod_database_code               9011197
loop_
_symmetry_equiv_pos_as_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_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
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
