data_global _chemical_name_mineral 'Schizolite' loop_ _publ_author_name 'Ohashi Y' 'Finger L W' _journal_name_full 'American Mineralogist' _journal_volume 63 _journal_year 1978 _journal_page_first 274 _journal_page_last 288 _publ_section_title ; The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, wollastonite, and the pectolite-schizolite-serandite series sample SCH, from Kangerdluarsuk, Julianehaab, Greenland ; _database_code_amcsd 0000624 _chemical_compound_source 'Kangerdluarsuk, Julianehaab, Greenland' _chemical_formula_sum '(Ca1.23 Mn.77) Na Si3 O9' _cell_length_a 10.059 _cell_length_b 10.880 _cell_length_c 6.978 _cell_angle_alpha 98.84 _cell_angle_beta 100.58 _cell_angle_gamma 82.64 _cell_volume 737.853 _exptl_crystal_density_diffrn 3.086 _symmetry_space_group_name_H-M 'C -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' '-x,-y,-z' '1/2-x,1/2-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 Ca1 0.00260 0.64850 0.90630 0.87000 0.00760 Mn1 0.00260 0.64850 0.90630 0.13000 0.00760 Mn2 0.00680 0.64180 0.41520 0.64000 0.00887 Ca2 0.00680 0.64180 0.41520 0.36000 0.00887 Na3 0.04800 0.89650 0.25430 1.00000 0.01925 Si1 0.22230 0.05830 0.09350 1.00000 0.00798 Si2 0.22210 0.07080 0.54030 1.00000 0.00874 Si3 0.20290 0.84620 0.75430 1.00000 0.00849 Oa1 0.11680 0.44460 0.88470 1.00000 0.01191 Oa2 0.11600 0.44150 0.40360 1.00000 0.01343 Oa3 0.13620 0.69050 0.22160 1.00000 0.01216 Ob1 0.13590 0.17340 -0.00880 1.00000 0.01127 Ob2 0.14730 0.19540 0.64720 1.00000 0.01456 Ob3 0.11120 0.73350 0.69570 1.00000 0.01292 Oc1 0.17250 0.06340 0.30390 1.00000 0.01140 Oc2 0.15940 0.94980 0.59620 1.00000 0.01178 Oc3 0.17030 0.92700 0.96640 1.00000 0.01292