#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009256.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_9009256 _chemical_name 'Saneroite' loop_ _publ_author_name 'Basso R' 'Giusta A D' _journal_name_full "Neues Jahrbuch fur Mineralogie, Abhandlungen" _journal_volume 138 _journal_year 1980 _journal_page_first 332 _journal_page_last 342 _publ_section_title ; The crystal structure of a new manganese silicate Locality: Liguria, Italy ; _chemical_formula_sum 'Na2.291 Mn10 Si11 V O38 H2' _cell_length_a 9.741 _cell_length_b 9.974 _cell_length_c 9.108 _cell_angle_alpha 92.70 _cell_angle_beta 117.11 _cell_angle_gamma 105.30 _cell_volume 745.192 _symmetry_space_group_name_H-M 'P -1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_Uiso_or_equiv Na1 0.50000 0.00000 0.50000 0.94100 0.03483 Na2 0.18910 0.53360 0.44270 0.67500 0.02166 Mn1 0.74360 0.98040 0.29480 1.00000 0.01545 Mn2 0.99750 0.21320 0.22160 1.00000 0.01241 Mn3 0.86210 0.88790 0.02940 1.00000 0.01115 Mn4 0.57370 0.66770 0.09870 1.00000 0.01127 Mn5 0.71710 0.55420 0.85320 1.00000 0.01482 Si1 0.87460 0.27570 0.82560 1.00000 0.01127 Si2 0.03080 0.23900 0.60990 1.00000 0.00975 Si3 0.20660 0.54910 0.77410 1.00000 0.01077 Si4 0.47590 0.75740 0.73000 1.00000 0.01140 Si5 0.61950 0.07820 0.89600 1.00000 0.01039 Si6 0.60410 0.71240 0.48150 0.50000 0.00899 V6 0.60410 0.71240 0.48150 0.50000 0.00899 O1 0.70580 0.16510 0.79570 1.00000 0.01672 O2 0.88550 0.22800 0.65830 1.00000 0.01621 O3 0.10910 0.40950 0.62080 1.00000 0.01494 O4 0.30120 0.66930 0.70760 1.00000 0.01621 O5 0.49730 0.92670 0.75430 1.00000 0.01596 O6 0.46330 0.71280 0.54830 1.00000 0.01849 O7 0.85600 0.43350 0.82380 1.00000 0.01494 O8 0.96460 0.72460 0.00790 1.00000 0.01381 O9 0.95340 0.15420 0.42380 1.00000 0.01507 O10 0.82780 0.81250 0.24630 1.00000 0.01254 O11 0.07920 0.60500 0.80360 1.00000 0.01608 O12 0.66540 0.49210 0.05930 1.00000 0.01305 O13 0.37690 0.27660 0.11860 1.00000 0.01241 O14 0.49660 0.14880 0.91010 1.00000 0.01469 O15 0.24140 0.94850 0.93610 1.00000 0.01368 O16 0.68340 0.87790 0.47490 1.00000 0.01659 O17 0.51790 0.60410 0.29780 1.00000 0.01469 O18 0.25620 0.34670 0.36960 1.00000 0.01710 O-h19 0.08970 0.05100 0.17390 1.00000 0.01494 H 0.84630 0.96490 0.72470 1.00000 0.03293