data_global
_chemical_name_mineral 'Alleghanyite'
loop_
_publ_author_name
'Francis C A'
_journal_name_full 'American Mineralogist'
_journal_volume 70 
_journal_year 1985
_journal_page_first 182
_journal_page_last 185
_publ_section_title
;
 Crystal structure refinement of magnesian alleghanyite
;
_database_code_amcsd 0000968
_chemical_compound_source 'Sterling mine, Ogdensburg, New Jersey, USA'
_chemical_formula_sum 'Mg1.947 Mn2.869 Zn.184 Si2 O9.06 (F.94 H1.06)'
_cell_length_a 4.815
_cell_length_b 10.574
_cell_length_c 8.083
_cell_angle_alpha 108.74
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 389.719
_exptl_crystal_density_diffrn      3.724
_symmetry_space_group_name_H-M 'P 21/b 1 1'
loop_
_space_group_symop_operation_xyz
  'x,y,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_occupancy
_atom_site_U_iso_or_equiv
MgM1   0.50000   0.00000   0.50000   0.13500   0.00494
MnM1   0.50000   0.00000   0.50000   0.86500   0.00494
MgM2   0.01070   0.17180   0.30730   0.09800   0.00418
MnM2   0.01070   0.17180   0.30730   0.90200   0.00418
MgM3   0.48970   0.88410   0.07600   0.80800   0.00431
MnM3   0.48970   0.88410   0.07600   0.10000   0.00431
ZnM3   0.48970   0.88410   0.07600   0.09200   0.00431
Si   0.07570   0.14450   0.70900   1.00000   0.00342
O1   0.78220   0.99460   0.29060   1.00000   0.00633
O2   0.71860   0.24460   0.12450   1.00000   0.00697
O3   0.21350   0.16980   0.53740   1.00000   0.00722
O4   0.26320   0.85500   0.28900   1.00000   0.00697
O-H   0.26140   0.05270   0.09190   0.53000   0.00773
F   0.26140   0.05270   0.09190   0.47000   0.00773