data_9000373
_chemical_name 'Boracite'
loop_
_publ_author_name
'Sueno S'
'Clark J R'
'Papike J J'
'Konnert J A'
_journal_name_full "American Mineralogist"
_journal_volume 58
_journal_year 1973
_journal_page_first 691
_journal_page_last 697
_publ_section_title
;
 Crystal-structure refinement of cubic boracite
 T = 400 C
;
_chemical_formula_sum 'Mg3 B7 O13 Cl'
_cell_length_a 12.0986
_cell_length_b 12.0986
_cell_length_c 12.0986
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1770.946
_symmetry_space_group_name_H-M 'F -4 3 c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '-z,x,-y'
  '-z,1/2+x,1/2-y'
  '1/2-z,x,1/2-y'
  '1/2-z,1/2+x,-y'
  '-y,z,-x'
  '-y,1/2+z,1/2-x'
  '1/2-y,z,1/2-x'
  '1/2-y,1/2+z,-x'
  '-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  'x,-z,1/2-y'
  'x,1/2-z,-y'
  '1/2+x,-z,-y'
  '1/2+x,1/2-z,1/2-y'
  'z,-y,1/2-x'
  'z,1/2-y,-x'
  '1/2+z,-y,-x'
  '1/2+z,1/2-y,1/2-x'
  'y,-x,1/2-z'
  'y,1/2-x,-z'
  '1/2+y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  'x,z,1/2+y'
  'x,1/2+z,+y'
  '1/2+x,z,+y'
  '1/2+x,1/2+z,1/2+y'
  'z,y,1/2+x'
  'z,1/2+y,+x'
  '1/2+z,y,+x'
  '1/2+z,1/2+y,1/2+x'
  'y,x,1/2+z'
  'y,1/2+x,+z'
  '1/2+y,x,+z'
  '1/2+y,1/2+x,1/2+z'
  '-z,-x,y'
  '-z,1/2-x,1/2+y'
  '1/2-z,-x,1/2+y'
  '1/2-z,1/2-x,y'
  '-y,-z,x'
  '-y,1/2-z,1/2+x'
  '1/2-y,-z,1/2+x'
  '1/2-y,1/2-z,x'
  '-x,-y,z'
  '-x,1/2-y,1/2+z'
  '1/2-x,-y,1/2+z'
  '1/2-x,1/2-y,z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,z,1/2-y'
  '-x,1/2+z,-y'
  '1/2-x,z,-y'
  '1/2-x,1/2+z,1/2-y'
  '-z,y,1/2-x'
  '-z,1/2+y,-x'
  '1/2-z,y,-x'
  '1/2-z,1/2+y,1/2-x'
  '-y,x,1/2-z'
  '-y,1/2+x,-z'
  '1/2-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  '-x,-z,1/2+y'
  '-x,1/2-z,+y'
  '1/2-x,-z,+y'
  '1/2-x,1/2-z,1/2+y'
  '-z,-y,1/2+x'
  '-z,1/2-y,+x'
  '1/2-z,-y,+x'
  '1/2-z,1/2-y,1/2+x'
  '-y,-x,1/2+z'
  '-y,1/2-x,+z'
  '1/2-y,-x,+z'
  '1/2-y,1/2-x,1/2+z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg   0.00000   0.25000   0.25000
B1   0.25000   0.00000   0.00000
B2   0.08080   0.08080   0.08080
O1   0.00000   0.00000   0.00000
O2   0.09870   0.02140   0.18210
Cl   0.25000   0.25000   0.25000