data_global _chemical_name_mineral 'Murmanite' loop_ _publ_author_name 'Rastsvetaeva R K' 'Andrianov V I' _journal_name_full 'Soviet Physics Crystallography' _journal_volume 31 _journal_year 1986 _journal_page_first 44 _journal_page_last 48 _publ_section_title ; New data on the crystal structure of murmanite ; _database_code_amcsd 0015586 _chemical_formula_sum 'Na4.5 Mn.45 Zr.25 Ca.6 K.2 Ti6.6 Fe.6 Nb.8 Si8 O44 H16' _cell_length_a 8.700 _cell_length_b 8.728 _cell_length_c 11.688 _cell_angle_alpha 94.31 _cell_angle_beta 98.62 _cell_angle_gamma 105.62 _cell_volume 838.839 _exptl_crystal_density_diffrn 3.071 _symmetry_space_group_name_H-M 'P 1' loop_ _space_group_symop_operation_xyz 'x,y,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 Na1 0.90500 0.30300 0.98800 0.50000 0.00127 Na2 0.06900 0.68200 0.97400 0.50000 0.00798 Na3 0.38100 0.80500 0.00400 0.50000 0.02495 Na4 0.55200 0.17400 0.98600 0.50000 0.00950 Na5 0.98300 0.17700 0.27200 0.30000 0.01735 Mn2+5 0.98300 0.17700 0.27200 0.45000 0.01735 Zr5 0.98300 0.17700 0.27200 0.25000 0.01735 Na6 0.49200 0.31300 0.69600 0.40000 0.02470 Ca6 0.49200 0.31300 0.69600 0.60000 0.02470 Na7 0.98500 0.80900 0.70500 0.80000 0.03027 K7 0.98500 0.80900 0.70500 0.20000 0.03027 Na8 0.48000 0.67300 0.27200 1.00000 0.04724 Ti1 0.68300 0.55100 0.99400 0.85000 0.01393 Fe3+1 0.68300 0.55100 0.99400 0.15000 0.01393 Ti2 0.16500 0.06900 0.00100 0.85000 0.01621 Fe3+2 0.16500 0.06900 0.00100 0.15000 0.01621 Ti3 0.31600 0.44500 0.98100 0.85000 0.01786 Fe3+3 0.31600 0.44500 0.98100 0.15000 0.01786 Ti4 0.80000 0.94000 0.98300 0.85000 0.01596 Fe3+4 0.80000 0.94000 0.98300 0.15000 0.01596 Ti5 0.74300 0.06800 0.72100 0.80000 0.02368 Nb5 0.74300 0.06800 0.72100 0.20000 0.02368 Ti6 0.24800 0.56800 0.71700 0.80000 0.02736 Nb6 0.24800 0.56800 0.71700 0.20000 0.02736 Ti7 0.22000 0.95000 0.27100 0.80000 0.01381 Nb7 0.22000 0.95000 0.27100 0.20000 0.01381 Ti8 0.75400 0.41400 0.25800 0.80000 0.01039 Nb8 0.75400 0.41400 0.25800 0.20000 0.01039 Si1 0.14200 0.18700 0.74200 1.00000 0.02077 Si2 0.64700 0.68700 0.74200 1.00000 0.01988 Si3 0.14300 0.53700 0.22200 1.00000 0.01938 Si4 0.82300 0.79800 0.22800 1.00000 0.01621 Si5 0.61300 0.00900 0.21500 1.00000 0.01216 Si6 0.35600 0.32800 0.22800 1.00000 0.01279 Si7 0.34400 0.96500 0.76600 1.00000 0.02394 Si8 0.85200 0.46600 0.75300 1.00000 0.02647 O1 0.31700 0.28400 0.08800 1.00000 0.01950 O2 0.81500 0.76400 0.09600 1.00000 0.01912 O3 0.98400 0.94200 0.27700 1.00000 0.01418 O4 0.14600 0.50600 0.07700 1.00000 0.03103 O5 0.60600 0.96700 0.07000 1.00000 0.02242 O6 0.73000 0.41100 0.10300 1.00000 0.03470 O7 0.19700 0.93600 0.11400 1.00000 0.01836 O8 0.43100 0.00400 0.27200 1.00000 0.00595 O9 0.22500 0.68600 0.26500 1.00000 0.03724 O10 0.75600 0.18700 0.25400 1.00000 0.00887 O11 0.97300 0.10000 0.08800 1.00000 0.02558 O12 0.99200 0.89900 0.92400 1.00000 0.02913 O13 0.49100 0.61200 0.07400 1.00000 0.02698 O14 0.30500 0.49100 0.26500 1.00000 0.01077 O15 0.52200 0.37700 0.29000 1.00000 0.01988 O16 0.68600 0.87600 0.27500 1.00000 0.02900 O17 0.23100 0.19300 0.28900 1.00000 0.00621 O18 0.50800 0.39500 0.90700 1.00000 0.02622 O19 0.80900 0.63900 0.29200 1.00000 0.01039 O20 0.15900 0.24300 0.89300 1.00000 0.02014 O21 0.22400 0.32800 0.69600 1.00000 0.04876 O22 0.99300 0.41600 0.24700 1.00000 0.01938 O23 0.51700 0.05100 0.71800 1.00000 0.04673 O24 0.01400 0.54000 0.72500 1.00000 0.05446 O25 0.27000 0.58100 0.87900 1.00000 0.01862 O26 0.69200 0.85200 0.69700 1.00000 0.05421 O27 0.77100 0.08300 0.89200 1.00000 0.03990 O28 0.21100 0.02600 0.71400 1.00000 0.04889 O29 0.50200 0.54900 0.71100 1.00000 0.04407 O30 0.94700 0.14100 0.71200 1.00000 0.02736 O31 0.67300 0.73300 0.90600 1.00000 0.02888 O32 0.34200 0.99500 0.91500 1.00000 0.03078 O33 0.85600 0.50500 0.89900 1.00000 0.02508 O34 0.31500 0.76900 0.72200 1.00000 0.02457 O35 0.81600 0.63400 0.72600 1.00000 0.03445 O36 0.81700 0.27400 0.72100 1.00000 0.03876 Wat1 0.24900 0.98200 0.45900 1.00000 0.04002 Wat2 0.77500 0.44600 0.46000 1.00000 0.03280 Wat3 0.99800 0.23000 0.45300 1.00000 0.04724 Wat4 0.47300 0.76700 0.45100 1.00000 0.02470 Wat5 0.98800 0.76200 0.52100 1.00000 0.05218 Wat6 0.50000 0.25500 0.50500 1.00000 0.03546 Wat7 0.69100 0.05400 0.53400 1.00000 0.04230 Wat8 0.20800 0.54700 0.53600 1.00000 0.03762