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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009303.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009303
_chemical_name 'Magnesiotaaffeite-2N2S'
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 taaffeite-8H
 Locality: Miriella Village, Ratnapura, Sri Lanka
;
_chemical_formula_sum 'Mg3 Al8 Be O16'
_cell_length_a 5.6867
_cell_length_b 5.6867
_cell_length_c 18.3370
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 513.546
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Mg1   0.00000   0.00000   0.00000   0.00560
Mg2   0.00000   0.00000   0.20090   0.00220
Mg3   0.66667   0.33333   0.26660   0.00190
Al1   0.33333   0.66667  -0.04940   0.00490
Al2   0.33300   0.16650  -0.13920   0.00520
Al3   0.99760   0.49880   0.10650   0.00520
Al4   0.33333   0.66667   0.23250   0.00500
Be   0.66667   0.33333   0.00420   0.00520
O1   0.00000   0.00000  -0.19170   0.00610
O2   0.51780   0.03560  -0.20080   0.00720
O3   0.66667   0.33333  -0.08480   0.00590
O4   0.16220   0.32440  -0.08250   0.00570
O5   0.33333   0.66667   0.04790   0.00440
O6   0.37020   0.18510   0.04750   0.00480
O7   0.66667   0.33333   0.16250   0.00620
O8   0.18540   0.37070   0.16590   0.00530