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: 2H polytype
 Note: anisoU's from ICSD
;
_database_code_amcsd 0014717
_chemical_compound_source 'Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway'
_chemical_formula_sum 'Be2 B O5 H3'
_cell_length_a 4.433
_cell_length_b 4.433
_cell_length_c 10.638
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 181.045
_exptl_crystal_density_diffrn      2.052
_symmetry_space_group_name_H-M 'P 63'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x-y,1/3+x,1/2+z'
  '-y,+x-y,z'
  '2/3-x,1/3-y,1/2+z'
  '-x+y,-x,z'
  '2/3+y,1/3-x+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   0.30360   1.00000   0.01039
BeB   0.33333   0.66667   0.20090   1.00000   0.00887
B   0.00000   0.00000   0.25000   1.00000   0.00773
O1   0.30890  -0.00020   0.25000   1.00000   0.00963
O2A   0.66667   0.33333   0.45490   1.00000   0.01672
O2B   0.33333   0.66667   0.04500   1.00000   0.01925
HA  -0.40100   0.44600   0.49600   0.33333   0.03800
HB   0.43900  -0.44500   0.50800   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 0.00642 0.00642 0.01840 0.00321 0.00000 0.00000
BeB 0.00801 0.00801 0.01070 0.00401 0.00000 0.00000
B 0.00547 0.00547 0.01213 0.00274 0.00000 0.00000
O1 0.00528 0.00509 0.01832 0.00258 -0.00083 -0.00153
O2A 0.01865 0.01865 0.01276 0.00932 0.00000 0.00000
O2B 0.02310 0.02310 0.01139 0.01155 0.00000 0.00000