data_global _chemical_name_mineral 'Lithiomarsturite' loop_ _publ_author_name 'Yang H' 'Downs R T' 'Yang Y W' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 67 _journal_year 2011 _journal_page_first i73 _journal_page_last i73 _publ_section_title ; Lithiomarsturite, LiCa2Mn2Si5O14(OH) Note: rruff.info/R100094 ; _database_code_amcsd 0018492 _chemical_compound_source 'Foote mine, Kings Mountain, North Carolina, USA' _chemical_formula_sum 'Li Ca2 Mn2 Si5 O15 H' _cell_length_a 7.6467 _cell_length_b 11.7315 _cell_length_c 6.8100 _cell_angle_alpha 91.874 _cell_angle_beta 94.465 _cell_angle_gamma 105.933 _cell_volume 584.722 _exptl_crystal_density_diffrn 3.285 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_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_U_iso_or_equiv Li1 0.65700 0.12760 0.33380 0.06700 Ca1 0.80601 0.94132 0.13944 0.01028 Ca2 0.23393 0.52331 0.28673 0.01254 Mn1 0.59386 0.64710 0.06116 0.00721 Mn2 0.04394 0.23677 0.18152 0.00722 Si1 0.28154 0.05291 0.34656 0.00840 Si2 0.46371 0.32017 0.42345 0.00704 Si3 0.80739 0.44983 0.21522 0.00627 Si4 0.99738 0.71828 0.30096 0.00756 Si5 0.33975 0.84444 0.10838 0.00758 O1 0.20710 -0.00760 0.54390 0.01550 O2 0.12310 0.06860 0.18930 0.01160 O3 0.43990 0.17592 0.41440 0.01040 O4 0.32530 0.34697 0.25190 0.01080 O5 0.54340 0.62430 0.36230 0.01130 O6 0.68150 0.37564 0.37900 0.01070 O7 0.96170 0.39040 0.16160 0.01160 O8 0.67690 0.47395 0.03490 0.00980 O9 0.92820 0.57625 0.33730 0.01030 O10 0.87580 0.75807 0.12810 0.01180 O11 0.99760 0.21112 0.49050 0.01700 O12 0.20810 0.74122 0.23720 0.01090 O13 0.52080 0.80942 0.06720 0.01270 O14 0.77400 0.13142 0.08780 0.01210 O15 0.39660 0.96997 0.24700 0.01350 H1 0.93800 0.11700 0.48000 0.04000 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 Li1 0.06000 0.12600 0.04600 0.06700 0.03600 0.03500 Ca1 0.01280 0.00710 0.01000 0.00122 0.00179 -0.00081 Ca2 0.00950 0.01280 0.01390 0.00159 -0.00014 -0.00341 Mn1 0.00686 0.00675 0.00782 0.00160 0.00084 -0.00022 Mn2 0.00669 0.00570 0.00900 0.00153 0.00000 -0.00028 Si1 0.00860 0.00660 0.00920 0.00120 -0.00040 -0.00060 Si2 0.00650 0.00600 0.00780 0.00060 0.00050 0.00000 Si3 0.00600 0.00540 0.00700 0.00110 0.00020 -0.00020 Si4 0.00760 0.00580 0.00880 0.00120 0.00050 -0.00020 Si5 0.00710 0.00720 0.00850 0.00210 0.00090 0.00000 O1 0.01640 0.01550 0.01030 -0.00360 0.00350 0.00190 O2 0.01070 0.01190 0.01180 0.00300 -0.00070 -0.00010 O3 0.01110 0.00590 0.01350 0.00200 -0.00110 -0.00110 O4 0.00960 0.01020 0.01180 0.00250 -0.00240 0.00010 O5 0.01120 0.01080 0.01090 0.00180 0.00140 -0.00260 O6 0.00850 0.01190 0.01040 0.00010 0.00170 0.00280 O7 0.01000 0.01030 0.01550 0.00440 0.00330 -0.00160 O8 0.00850 0.01140 0.00930 0.00240 -0.00030 0.00140 O9 0.01230 0.00520 0.01230 0.00100 -0.00070 -0.00020 O10 0.01070 0.01140 0.01420 0.00430 0.00030 0.00370 O11 0.02690 0.00940 0.01180 -0.00080 0.00780 -0.00320 O12 0.00780 0.01180 0.01260 0.00100 0.00190 0.00360 O13 0.01090 0.01270 0.01640 0.00530 0.00460 0.00180 O14 0.01380 0.01210 0.01000 0.00320 -0.00160 0.00290 O15 0.01280 0.00990 0.01710 0.00290 0.00060 -0.00360