data_global _chemical_name_mineral 'Bornemanite' loop_ _publ_author_name 'Ferraris G' 'Belluso E' 'Gula A' 'Soboleva S V' 'Ageeva O A' 'Borutskii B E' _journal_name_full 'The Canadian Mineralogist' _journal_volume 39 _journal_year 2001 _journal_page_first 1665 _journal_page_last 1673 _publ_section_title ; A structure model of the layer titanosilicate bornemanite based on seidozerite and lomonosovite modules ; _database_code_amcsd 0005756 _chemical_formula_sum 'Si4 P Ti2.3 Nb.7 Na5.5 Mn.5 Ba O22' _cell_length_a 5.498 _cell_length_b 7.120 _cell_length_c 47.95 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 88.4 _cell_volume 1876.307 _exptl_crystal_density_diffrn 3.404 _symmetry_space_group_name_H-M 'I 1 1 b' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'x,1/2+y,-z' '1/2+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 Si1 0.44000 0.12400 0.28000 1.00000 0.02533 Si2 0.36200 0.57300 0.28700 1.00000 0.02533 Si3 0.72600 0.36100 0.39100 1.00000 0.02533 Si4 0.67500 0.78300 0.39900 1.00000 0.02533 P 0.36000 0.89100 0.45900 1.00000 0.02533 Ti1 0.17500 0.08800 0.40500 1.00000 0.02533 Ti2 0.83500 0.60800 0.33600 1.00000 0.02533 Nb 0.89000 0.87800 0.27000 0.70000 0.02533 Ti 0.89000 0.87800 0.27000 0.30000 0.02533 Na1 0.28300 0.28500 0.33200 1.00000 0.02533 Na2 0.31200 0.82000 0.34000 1.00000 0.02533 Na3 0.74700 0.10500 0.34000 1.00000 0.02533 Na4 0.78500 0.40000 0.26500 0.75000 0.02533 Mn4 0.78500 0.40000 0.26500 0.25000 0.02533 Na5 0.18000 0.58700 0.40800 0.75000 0.02533 Mn5 0.18000 0.58700 0.40800 0.25000 0.02533 Na6 0.98000 0.56000 0.46400 0.65000 0.02533 Ba6 0.98000 0.56000 0.46400 0.35000 0.02533 Ba 0.61500 0.77500 0.54600 0.65000 0.02533 Na 0.61500 0.77500 0.54600 0.35000 0.02533 O1 0.41000 0.35200 0.28000 1.00000 0.02533 O2 0.57600 0.71000 0.27600 1.00000 0.02533 O3 0.73500 0.11900 0.28300 1.00000 0.02533 O4 0.09700 0.65000 0.27800 1.00000 0.02533 O5 0.25800 -0.03500 0.27000 1.00000 0.02533 O6 0.49200 0.58300 0.31700 1.00000 0.02533 O7 0.45600 0.02400 0.31000 1.00000 0.02533 O8 0.90000 0.86000 0.31400 1.00000 0.02533 O9 0.90700 0.37200 0.31400 1.00000 0.02533 O10 0.72600 0.56300 0.40700 1.00000 0.02533 O11 0.97000 0.31600 0.40900 1.00000 0.02533 O12 0.94200 0.86300 0.40400 1.00000 0.02533 O13 0.48500 0.25000 0.40000 1.00000 0.02533 O14 0.43000 0.89200 0.40900 1.00000 0.02533 O15 0.14500 0.55300 0.36000 1.00000 0.02533 O16 0.10500 0.05100 0.36500 1.00000 0.02533 O17 0.67500 0.79000 0.36500 1.00000 0.02533 O18 0.64800 0.40800 0.35900 1.00000 0.02533 O19 0.17200 0.03500 0.44700 1.00000 0.02533 O20 0.41500 0.68800 0.44900 1.00000 0.02533 O21 0.64200 -0.10900 0.46000 1.00000 0.02533 O22 0.26800 -0.10900 0.48900 1.00000 0.02533