data_global
_chemical_name_mineral 'Berborite'
loop_
_publ_author_name
'Giuseppetti G'
'Mazzi F'
'Tadini C'
'Larsen A O'
'Asheim A'
'Raade G'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_volume 162 
_journal_year 1990
_journal_page_first 101
_journal_page_last 116
_publ_section_title
;
 Berborite polytypes
 Sample: 2T polytype
 Note: anisoU's from ICSD
;
_database_code_amcsd 0014718
_chemical_compound_source 'Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway'
_chemical_formula_sum 'Be2 B O5 H3'
_cell_length_a 4.431
_cell_length_b 4.431
_cell_length_c 10.663
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 181.307
_exptl_crystal_density_diffrn      2.049
_symmetry_space_group_name_H-M 'P 3 c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,1/2+z'
  '-y,x-y,z'
  'x,x-y,1/2+z'
  '-x+y,-x,z'
  '-x+y,y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
BeA   0.66667   0.33333   0.30390   1.00000   0.00849
BeB   0.33333   0.66667   0.20110   1.00000   0.00925
B   0.00000   0.00000   0.25000   1.00000   0.00785
O1   0.30890   0.00000   0.25000   1.00000   0.00988
O2A   0.66667   0.33333   0.45440   1.00000   0.01938
O2B   0.33333   0.66667   0.04620   1.00000   0.02052
HA  -0.45100   0.44400   0.49100   0.33333   0.03800
HB   0.45200  -0.44400   0.51100   0.66667   0.06333
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
BeA 0.00686 0.00686 0.01157 0.00343 0.00000 0.00000
BeB 0.00715 0.00715 0.01339 0.00357 0.00000 0.00000
B 0.00520 0.00520 0.01312 0.00260 0.00000 0.00000
O1 0.00609 0.00539 0.01979 0.00423 0.00147 -0.00133
O2A 0.02377 0.02377 0.01065 0.01189 0.00000 0.00000
O2B 0.02438 0.02438 0.01274 0.01219 0.00000 0.00000