data_global _chemical_name_mineral 'Loseyite' loop_ _publ_author_name 'Hill R J' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 37 _journal_year 1981 _journal_page_first 1323 _journal_page_last 1328 _publ_section_title ; The structure of loseyite Note: AnisoU's from ICSD ; _database_code_amcsd 0009744 _chemical_compound_source 'Franklin, New Jersey' _chemical_formula_sum 'Mn3.684 Mg.773 Zn2.543 C2 O16 H10' _cell_length_a 16.408 _cell_length_b 5.540 _cell_length_c 15.150 _cell_angle_alpha 90 _cell_angle_beta 95.48 _cell_angle_gamma 90 _cell_volume 1370.846 _exptl_crystal_density_diffrn 3.283 _symmetry_space_group_name_H-M 'A 1 2/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,-y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,y,-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '-x,1/2-y,1/2-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 Mn1 0.40984 0.25250 0.28147 0.90700 0.02533 Mg1 0.40984 0.25250 0.28147 0.09300 0.02533 Mn2 0.18432 0.25940 0.19606 0.93500 0.02368 Mg2 0.18432 0.25940 0.19606 0.06500 0.02368 Zn1 0.03923 0.24620 0.36370 0.93700 0.02318 Mg1 0.03923 0.24620 0.36370 0.06300 0.02318 Zn2 0.25000 0.28160 0.00000 0.66900 0.02254 Mg2 0.25000 0.28160 0.00000 0.33100 0.02254 C 0.37230 0.41330 0.47580 1.00000 0.02406 O1 0.07620 0.25470 0.49410 1.00000 0.03546 O2 0.47330 0.08970 0.17520 1.00000 0.02913 O3 0.11820 0.08060 0.29600 1.00000 0.02406 O4 0.06540 0.43400 0.14130 1.00000 0.02153 O5 0.24470 0.46490 0.10220 1.00000 0.03673 O6 0.34360 0.07080 0.03020 1.00000 0.03293 O7 0.34960 0.43340 0.39320 1.00000 0.02913 O8 0.30090 0.07320 0.22350 1.00000 0.02153 H26 0.44000 0.16000 0.12600 1.00000 0.05066 H35 0.16400 0.06000 0.34200 1.00000 0.05066 H41 0.07000 0.47200 0.07800 1.00000 0.05066 H57 0.28500 0.11200 0.41000 1.00000 0.05066 H86 0.31300 0.04800 0.16200 1.00000 0.05066 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 Mn1 0.01760 0.03430 0.02400 0.00160 0.00160 0.00410 Mg1 0.01760 0.03430 0.02400 0.00160 0.00160 0.00410 Mn2 0.01540 0.03480 0.02080 -0.00370 0.00130 0.00210 Mg2 0.01540 0.03480 0.02080 -0.00370 0.00130 0.00210 Zn1 0.01930 0.03450 0.01520 0.00180 -0.00110 0.00170 Mg1 0.01930 0.03450 0.01520 0.00180 -0.00110 0.00170 Zn2 0.01610 0.03830 0.01320 0.00000 0.00100 0.00000 Mg2 0.01610 0.03830 0.01320 0.00000 0.00100 0.00000 C 0.02260 0.02200 0.02520 -0.01560 -0.00140 -0.00490 O1 0.03030 0.04750 0.02830 -0.02200 -0.00170 -0.00430 O2 0.02690 0.04100 0.01570 -0.01020 -0.01000 -0.01320 O3 0.01880 0.03640 0.01630 -0.00430 -0.00340 0.00640 O4 0.02430 0.02690 0.01310 -0.00520 -0.00070 0.00650 O5 0.01920 0.06030 0.02950 0.00330 0.00360 0.02020 O6 0.02900 0.04020 0.03030 0.01540 0.00410 -0.01550 O7 0.02780 0.03860 0.01960 -0.00700 -0.00090 -0.01050 O8 0.01430 0.02420 0.02730 -0.00570 0.00040 -0.00430