data_9001223
_chemical_name 'Kornerupine'
loop_
_publ_author_name
'Moore P B'
'Sen Gupta P K'
'Schlemper E O'
_journal_name_full "American Mineralogist"
_journal_volume 74
_journal_year 1989
_journal_page_first 642
_journal_page_last 655
_publ_section_title
;
 Kornerupine: Chemical crystallography, comparative crystallography, and its
 cation relation to olivine and to Ni2In intermetallic
;
_chemical_formula_sum 'Mg3.374 Al6.088 Fe.38 Si4.104 B.428 O22 H'
_cell_length_a 16.041
_cell_length_b 13.746
_cell_length_c 6.715
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1480.655
_symmetry_space_group_name_H-M 'C m c m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  'x,y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
MgX   0.00000   0.00000   0.00000   0.37400
Mg1   0.12176   0.14031   0.25000   1.00000
Mg2   0.50000   0.14563   0.25000   1.00000
Al3   0.21536   0.00000   0.00000   1.00000
Al4   0.31366   0.14182   0.25000   0.81000
Fe4   0.31366   0.14182   0.25000   0.19000
Al5   0.40756   0.00000   0.00000   1.00000
Si1   0.40202   0.35299   0.25000   1.00000
Si2   0.17842   0.33375   0.25000   0.76600
Al2   0.17842   0.33375   0.25000   0.23400
Si3   0.00000   0.34253   0.25000   0.57200
B3   0.00000   0.34253   0.25000   0.42800
O1   0.22400   0.04480   0.25000   1.00000
O2   0.40367   0.04600   0.25000   1.00000
O3   0.40283   0.23550   0.25000   1.00000
O4   0.13818   0.09959  -0.05150   1.00000
O5   0.23380   0.23580   0.25000   1.00000
O6   0.31671   0.09479  -0.04710   1.00000
O7   0.08240   0.28210   0.25000   1.00000
O8   0.50000   0.08850  -0.05410   1.00000
O9   0.00000   0.11280  -0.25000   1.00000
O-H10   0.00000   0.08820   0.25000   1.00000