data_global
_chemical_name_mineral 'Abswurmbachite'
loop_
_publ_author_name
'Reinecke T'
'Tillmanns E'
'Bernhardt H J'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_volume 163 
_journal_year 1991
_journal_page_first 117
_journal_page_last 143
_publ_section_title
;
 Abswurmbachite, CuMn6[O8/SiO4], a new mineral of the braunite
 group: natural occurrence, synthesis, and crystal structure
;
_database_code_amcsd 0014719
_chemical_formula_sum '(Mn6.44 Cu.56) Si O12'
_cell_length_a 9.406
_cell_length_b 9.406
_cell_length_c 18.546
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1640.817
_exptl_crystal_density_diffrn      4.934
_symmetry_space_group_name_H-M 'I 41/a c d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/4-y,3/4-x,3/4+z'
  '3/4-y,1/4-x,1/4+z'
  '1/4+y,3/4+x,3/4-z'
  '3/4+y,1/4+x,1/4-z'
  '1/4+y,3/4-x,1/4-z'
  '3/4+y,1/4-x,3/4-z'
  '1/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/2+x,-y,z'
  '+x,1/2-y,1/2+z'
  '1/2-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2+x,y,1/2-z'
  '+x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,1/2-y,+z'
  '1/4+y,1/4+x,1/4+z'
  '3/4+y,3/4+x,3/4+z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,3/4-z'
  '1/4-y,1/4+x,3/4-z'
  '3/4-y,3/4+x,1/4-z'
  '1/4+y,1/4-x,3/4+z'
  '3/4+y,3/4-x,1/4+z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,+z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-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
Mn1   0.00000   0.25000   0.12500   0.84000   0.01659
Cu1   0.00000   0.25000   0.12500   0.16000   0.01659
Mn2   0.00000   0.00000   0.00000   0.94000   0.00646
Cu2   0.00000   0.00000   0.00000   0.06000   0.00646
Mn3   0.25000   0.21001   0.00000   0.92000   0.00608
Cu3   0.25000   0.21001   0.00000   0.08000   0.00608
Mn4   0.22789   0.02210   0.62500   0.94000   0.00633
Cu4   0.22789   0.02210   0.62500   0.06000   0.00633
Si   0.00000   0.25000   0.37500   1.00000   0.00507
O1   0.14360   0.84700   0.94400   1.00000   0.01165
O2   0.14810   0.06650   0.05660   1.00000   0.00861
O3   0.07630   0.13240   0.92530   1.00000   0.00861