data_global _chemical_name_mineral 'Uvite' loop_ _publ_author_name 'Taylor M C' 'Cooper M A' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 33 _journal_year 1995 _journal_page_first 1215 _journal_page_last 1221 _publ_section_title ; Local charge-compensation in hydroxyl-deficient uvite ; _database_code_amcsd 0005475 _chemical_compound_source 'East Africa' _chemical_formula_sum 'Ca.43 Na.4 Mg2.49 Al6.45 Cr.06 Si6 B3 O31 H3.31' _cell_length_a 15.917 _cell_length_b 15.917 _cell_length_c 7.189 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1577.326 _exptl_crystal_density_diffrn 3.046 _symmetry_space_group_name_H-M 'R 3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+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 CaX 0.00000 0.00000 0.84080 0.43000 ? NaX 0.00000 0.00000 0.84080 0.40000 ? MgY 0.06148 0.93852 0.42690 0.57000 ? AlY 0.06148 0.93852 0.42690 0.43000 ? AlZ 0.26126 0.29749 0.45340 0.86000 ? MgZ 0.26126 0.29749 0.45340 0.13000 ? CrZ 0.26126 0.29749 0.45340 0.01000 ? Si 0.18986 0.19175 0.06400 1.00000 ? B 0.89040 0.10960 0.61130 1.00000 ? O1 0.00000 0.00000 0.29290 0.69000 ? O-H1 0.00000 0.00000 0.29290 0.31000 ? O2 0.93958 0.06042 0.57950 1.00000 ? O3 0.13052 0.86948 0.55380 1.00000 ? H3 0.12640 0.87360 0.68760 1.00000 0.03000 O4 0.90697 0.09303 -0.00870 1.00000 ? O5 0.09146 0.90854 -0.02920 1.00000 ? O6 0.18417 0.19430 0.28740 1.00000 ? O7 0.28499 0.28554 -0.01370 1.00000 ? O8 0.26962 0.20899 0.62490 1.00000 ? 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 CaX 0.01780 0.01780 0.02040 0.00890 0.00000 0.00000 NaX 0.01780 0.01780 0.02040 0.00890 0.00000 0.00000 MgY 0.00480 0.00480 0.00900 0.00150 0.00180 -0.00180 AlY 0.00480 0.00480 0.00900 0.00150 0.00180 -0.00180 AlZ 0.00740 0.00730 0.00570 0.00370 -0.00050 0.00010 MgZ 0.00740 0.00730 0.00570 0.00370 -0.00050 0.00010 CrZ 0.00740 0.00730 0.00570 0.00370 -0.00050 0.00010 Si 0.00570 0.00580 0.00520 0.00270 0.00080 0.00050 B 0.00790 0.00790 0.00580 0.00350 0.00030 -0.00030 O1 0.01290 0.01290 0.00850 0.00650 0.00000 0.00000 O-H1 0.01290 0.01290 0.00850 0.00650 0.00000 0.00000 O2 0.01290 0.01290 0.01580 0.00930 -0.00010 0.00010 O3 0.01540 0.01540 0.00430 0.00080 -0.00020 0.00020 O4 0.00980 0.00980 0.01050 0.00060 -0.00110 0.00110 O5 0.00940 0.00940 0.01050 0.00080 -0.00040 0.00040 O6 0.01140 0.01190 0.00630 0.00660 0.00200 0.00110 O7 0.00810 0.00920 0.00860 0.00200 0.00120 0.00170 O8 0.00990 0.00650 0.01470 0.00400 -0.00190 -0.00060