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: 1T polytype Note: anisoU's from ICSD ; _database_code_amcsd 0014716 _chemical_compound_source 'Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway' _chemical_formula_sum 'Be2 B O5 H3' _cell_length_a 4.434 _cell_length_b 4.434 _cell_length_c 5.334 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 90.819 _exptl_crystal_density_diffrn 2.045 _symmetry_space_group_name_H-M 'P 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,x-y,z' '-x+y,-x,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 0.60850 1.00000 0.00836 BeB 0.33333 -0.33333 0.40300 1.00000 0.00836 B 0.00000 0.00000 0.50000 1.00000 0.00735 O1 0.30890 -0.00010 0.50000 1.00000 0.00937 O2A 0.66667 0.33333 0.90890 1.00000 0.01874 O2B 0.33333 0.66667 0.09240 1.00000 0.02039 HA -0.43800 0.42700 0.98300 0.33333 0.04433 HB 0.45900 -0.44400 0.02000 0.66667 0.04433 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 0.00660 0.00660 0.01184 0.00330 0.00000 0.00000 BeB 0.00680 0.00680 0.01146 0.00340 0.00000 0.00000 B 0.00499 0.00499 0.01215 0.00249 0.00000 0.00000 O1 0.00442 0.00502 0.01879 0.00249 -0.00065 -0.00124 O2A 0.02275 0.02275 0.01071 0.01138 0.00000 0.00000 O2B 0.02533 0.02533 0.01059 0.01267 0.00000 0.00000