data_global
_chemical_name_mineral 'Fluoborite'
loop_
_publ_author_name
'Dal Negro A'
'Tadini C'
_journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_volume 21 
_journal_year 1974
_journal_page_first 94
_journal_page_last 100
_publ_section_title
;
 Refinement of the crystal structure of fluoborite, Mg3(F,OH)3(BO3)
;
_database_code_amcsd 0015645
_chemical_compound_source 'Nocera, Italy'
_chemical_formula_sum 'Mg3 F3 B O3'
_cell_length_a 8.827
_cell_length_b 8.827
_cell_length_c 3.085
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 208.167
_exptl_crystal_density_diffrn      3.011
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mg   0.36680   0.02970   0.25000   0.00659
F   0.29820   0.20890   0.25000   0.00912
B   0.33333   0.66667   0.25000   0.00557
O   0.44950   0.84560   0.25000   0.00659
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Mg 0.00799 0.00681 0.00526 0.00385 0.00000 0.00000
F 0.01303 0.00888 0.00733 0.00681 0.00000 0.00000
B 0.00651 0.00651 0.00381 0.00326 0.00000 0.00000
O 0.00711 0.00562 0.00641 0.00266 0.00000 0.00000