# generated using pymatgen data_Mn9(Si2O9)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89553800 _cell_length_b 10.52103800 _cell_length_c 28.20684600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn9(Si2O9)2 _chemical_formula_sum 'Mn36 Si16 O72' _cell_volume 1452.82579651 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.50034000 0.87478500 0.24932200 1.0 Mn Mn1 1 0.49966000 0.12521500 0.74932200 1.0 Mn Mn2 1 0.00034000 0.62521500 0.74932200 1.0 Mn Mn3 1 0.99966000 0.37478500 0.24932200 1.0 Mn Mn4 1 0.49560300 0.87983600 0.13518700 1.0 Mn Mn5 1 0.50439700 0.12016400 0.63518700 1.0 Mn Mn6 1 0.99560300 0.62016400 0.63518700 1.0 Mn Mn7 1 0.00439700 0.37983600 0.13518700 1.0 Mn Mn8 1 0.52186400 0.87155400 0.36571600 1.0 Mn Mn9 1 0.47813600 0.12844600 0.86571600 1.0 Mn Mn10 1 0.02186400 0.62844600 0.86571600 1.0 Mn Mn11 1 0.97813600 0.37155400 0.36571600 1.0 Mn Mn12 1 0.46654200 0.59243100 0.07575700 1.0 Mn Mn13 1 0.53345800 0.40756900 0.57575700 1.0 Mn Mn14 1 0.96654200 0.90756900 0.57575700 1.0 Mn Mn15 1 0.03345800 0.09243100 0.07575700 1.0 Mn Mn16 1 0.54312200 0.15648600 0.41681000 1.0 Mn Mn17 1 0.45687800 0.84351400 0.91681000 1.0 Mn Mn18 1 0.04312200 0.34351400 0.91681000 1.0 Mn Mn19 1 0.95687800 0.65648600 0.41681000 1.0 Mn Mn20 1 0.51610700 0.15738600 0.19222600 1.0 Mn Mn21 1 0.48389300 0.84261400 0.69222600 1.0 Mn Mn22 1 0.01610700 0.34261400 0.69222600 1.0 Mn Mn23 1 0.98389300 0.65738600 0.19222600 1.0 Mn Mn24 1 0.47431600 0.59067100 0.30748400 1.0 Mn Mn25 1 0.52568400 0.40932900 0.80748400 1.0 Mn Mn26 1 0.97431600 0.90932900 0.80748400 1.0 Mn Mn27 1 0.02568400 0.09067100 0.30748400 1.0 Mn Mn28 1 0.47788000 0.87034300 0.02144600 1.0 Mn Mn29 1 0.52212000 0.12965700 0.52144600 1.0 Mn Mn30 1 0.97788000 0.62965700 0.52144600 1.0 Mn Mn31 1 0.02212000 0.37034300 0.02144600 1.0 Mn Mn32 1 0.52373200 0.86519800 0.47951000 1.0 Mn Mn33 1 0.47626800 0.13480200 0.97951000 1.0 Mn Mn34 1 0.02373200 0.63480200 0.97951000 1.0 Mn Mn35 1 0.97626800 0.36519800 0.47951000 1.0 Si Si36 1 0.42771600 0.47318200 0.19277100 1.0 Si Si37 1 0.57228400 0.52681800 0.69277100 1.0 Si Si38 1 0.92771600 0.02681800 0.69277100 1.0 Si Si39 1 0.07228400 0.97318200 0.19277100 1.0 Si Si40 1 0.56875900 0.27671300 0.30445500 1.0 Si Si41 1 0.43124100 0.72328700 0.80445500 1.0 Si Si42 1 0.06875900 0.22328700 0.80445500 1.0 Si Si43 1 0.93124100 0.77671300 0.30445500 1.0 Si Si44 1 0.39380200 0.46532800 0.42191100 1.0 Si Si45 1 0.60619800 0.53467200 0.92191100 1.0 Si Si46 1 0.89380200 0.03467200 0.92191100 1.0 Si Si47 1 0.10619800 0.96532800 0.42191100 1.0 Si Si48 1 0.58378200 0.28131600 0.08125200 1.0 Si Si49 1 0.41621800 0.71868400 0.58125200 1.0 Si Si50 1 0.08378200 0.21868400 0.58125200 1.0 Si Si51 1 0.91621800 0.78131600 0.08125200 1.0 O O52 1 0.76233000 0.47094000 0.19283400 1.0 O O53 1 0.23767000 0.52906000 0.69283400 1.0 O O54 1 0.26233000 0.02906000 0.69283400 1.0 O O55 1 0.73767000 0.97094000 0.19283400 1.0 O O56 1 0.23430000 0.27721200 0.30619000 1.0 O O57 1 0.76570000 0.72278800 0.80619000 1.0 O O58 1 0.73430000 0.22278800 0.80619000 1.0 O O59 1 0.26570000 0.77721200 0.30619000 1.0 O O60 1 0.28488300 0.32782600 0.19297000 1.0 O O61 1 0.71511700 0.67217400 0.69297000 1.0 O O62 1 0.78488300 0.17217400 0.69297000 1.0 O O63 1 0.21511700 0.82782600 0.19297000 1.0 O O64 1 0.70734000 0.42235900 0.30525300 1.0 O O65 1 0.29266000 0.57764100 0.80525300 1.0 O O66 1 0.20734000 0.07764100 0.80525300 1.0 O O67 1 0.79266000 0.92235900 0.30525300 1.0 O O68 1 0.28679500 0.54024200 0.14553300 1.0 O O69 1 0.71320500 0.45975800 0.64553300 1.0 O O70 1 0.78679500 0.95975800 0.64553300 1.0 O O71 1 0.21320500 0.04024200 0.14553300 1.0 O O72 1 0.71316000 0.20764800 0.35109800 1.0 O O73 1 0.28684000 0.79235200 0.85109800 1.0 O O74 1 0.21316000 0.29235200 0.85109800 1.0 O O75 1 0.78684000 0.70764800 0.35109800 1.0 O O76 1 0.28705500 0.54031100 0.24003900 1.0 O O77 1 0.71294500 0.45968900 0.74003900 1.0 O O78 1 0.78705500 0.95968900 0.74003900 1.0 O O79 1 0.21294500 0.04031100 0.24003900 1.0 O O80 1 0.71005500 0.21064100 0.25734700 1.0 O O81 1 0.28994500 0.78935900 0.75734700 1.0 O O82 1 0.21005500 0.28935900 0.75734700 1.0 O O83 1 0.78994500 0.71064100 0.25734700 1.0 O O84 1 0.24895100 0.27885200 0.08125200 1.0 O O85 1 0.75104900 0.72114800 0.58125200 1.0 O O86 1 0.74895100 0.22114800 0.58125200 1.0 O O87 1 0.25104900 0.77885200 0.08125200 1.0 O O88 1 0.72603700 0.46650900 0.41922900 1.0 O O89 1 0.27396300 0.53349100 0.91922900 1.0 O O90 1 0.22603700 0.03349100 0.91922900 1.0 O O91 1 0.77396300 0.96650900 0.41922900 1.0 O O92 1 0.71499400 0.42837000 0.07901300 1.0 O O93 1 0.28500600 0.57163000 0.57901300 1.0 O O94 1 0.21499400 0.07163000 0.57901300 1.0 O O95 1 0.78500600 0.92837000 0.07901300 1.0 O O96 1 0.24988700 0.31879500 0.42378100 1.0 O O97 1 0.75011300 0.68120500 0.92378100 1.0 O O98 1 0.74988700 0.18120500 0.92378100 1.0 O O99 1 0.25011300 0.81879500 0.42378100 1.0 O O100 1 0.71844900 0.21970600 0.12991000 1.0 O O101 1 0.28155100 0.78029400 0.62991000 1.0 O O102 1 0.21844900 0.28029400 0.62991000 1.0 O O103 1 0.78155100 0.71970600 0.12991000 1.0 O O104 1 0.26526500 0.52932100 0.37239200 1.0 O O105 1 0.73473500 0.47067900 0.87239200 1.0 O O106 1 0.76526500 0.97067900 0.87239200 1.0 O O107 1 0.23473500 0.02932100 0.37239200 1.0 O O108 1 0.74693700 0.21368400 0.03595800 1.0 O O109 1 0.25306300 0.78631600 0.53595800 1.0 O O110 1 0.24693700 0.28631600 0.53595800 1.0 O O111 1 0.75306300 0.71368400 0.03595800 1.0 O O112 1 0.22029500 0.52871200 0.46669200 1.0 O O113 1 0.77970500 0.47128800 0.96669200 1.0 O O114 1 0.72029500 0.97128800 0.96669200 1.0 O O115 1 0.27970500 0.02871200 0.46669200 1.0 O O116 1 0.79394600 0.46293400 0.52528200 1.0 O O117 1 0.20605400 0.53706600 0.02528200 1.0 O O118 1 0.29394600 0.03706600 0.02528200 1.0 O O119 1 0.70605400 0.96293400 0.52528200 1.0 O O120 1 0.74997900 0.72256600 0.47468100 1.0 O O121 1 0.25002100 0.27743400 0.97468100 1.0 O O122 1 0.24997900 0.77743400 0.97468100 1.0 O O123 1 0.75002100 0.22256600 0.47468100 1.0