data_9009302
_chemical_name 'Magnesiotaaffeite-6N3S'
loop_
_publ_author_name
'Nuber B'
'Schmetzer K'
_journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte"
_journal_volume 1983
_journal_year 1983
_journal_page_first 393
_journal_page_last 402
_publ_section_title
;
 Crystal structure of ternary Be-Mg-Al oxides: taaffeite, BeMg3Al8O16,
 and musgravite, BeMg2Al6O12
 Note: formerly known as musgravite-18R
 Locality: Casey Bay, Antarctica
;
_chemical_formula_sum 'Mg1.25 Fe.47 Zn.28 Al6 Be O12'
_cell_length_a 5.682
_cell_length_b 5.682
_cell_length_c 41.15
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1150.543
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Mg1   0.33333   0.66667   0.12030   0.83000   0.00230
Fe1   0.33333   0.66667   0.12030   0.17000   0.00230
Fe2   0.66667   0.33333   0.01370   0.30000   0.00560
Mg2   0.66667   0.33333   0.01370   0.42000   0.00560
Zn2   0.66667   0.33333   0.01370   0.28000   0.00560
Al1   0.00000   0.00000   0.00000   1.00000   0.00330
Al2   0.16680   0.33360   0.05730   1.00000   0.00320
Al3   0.00000   0.50000   0.50000   1.00000   0.00310
Al4   0.66667   0.33333   0.09670   1.00000   0.00250
Be   0.00000   0.00000   0.12100   1.00000   0.00560
O1   0.29360   0.14680   0.03000   1.00000   0.00420
O2   0.33333   0.66667   0.03430   1.00000   0.00300
O3   0.49480   0.98970   0.08240   1.00000   0.00420
O4   0.00000   0.00000   0.08190   1.00000   0.00360
O5   0.14620   0.29240   0.14090   1.00000   0.00400
O6   0.66667   0.33333   0.14010   1.00000   0.00380