data_global _chemical_name_mineral 'Taniajacoite' loop_ _publ_author_name 'Yang H' 'Gu X' 'Cairncross B' 'Downs R T' 'Evans S H' _journal_name_full 'The Canadian Mineralogist' _journal_volume 59 _journal_year 2021 _journal_page_first 431 _journal_page_last 444 _publ_section_title ; Taniajacoite and strontioruizite, two new minerals isostructural with ruizite from the N'Chwaning III mine, Kalahari manganese field, South Africa ; _database_code_amcsd 0020971 _chemical_compound_source 'N'Chwaning III mine, Kalahari manganese field, South Africa' _chemical_formula_sum 'Sr1.19 Ca.81 (Mn1.9 Fe.1) Si4 O17 H8' _cell_length_a 9.1386 _cell_length_b 6.2566 _cell_length_c 12.0043 _cell_angle_alpha 90.019 _cell_angle_beta 91.643 _cell_angle_gamma 89.900 _cell_volume 686.081 _exptl_crystal_density_diffrn 3.094 _symmetry_space_group_name_H-M 'C 1' loop_ _space_group_symop_operation_xyz '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 SrMA 0.29589 0.01430 0.73325 1.00000 0.01928 CaMB 0.70944 0.01802 0.26021 0.81000 0.01214 SrMB 0.70944 0.01802 0.26021 0.19000 0.01214 Mn3+A 0.25105 0.26842 0.00308 0.95000 0.01217 Fe3+A 0.25105 0.26842 0.00308 0.05000 0.01217 Mn3+B 0.74888 0.26742 0.00168 0.95000 0.01258 Fe3+B 0.74888 0.26742 0.00168 0.05000 0.01258 Si1A 0.03861 0.01472 0.15433 1.00000 0.01180 Si1B 0.96448 0.01712 0.85322 1.00000 0.01334 Si2A 0.12113 0.00979 0.39623 1.00000 0.01813 Si2B -0.08856 0.01160 -0.39997 1.00000 0.01411 O1A 0.87554 0.00236 0.09924 1.00000 0.01185 O1B -0.87494 0.01295 -0.08708 1.00000 0.01244 O2A 0.00197 0.00593 0.28894 1.00000 0.01429 O2B 0.00257 0.03663 -0.28341 1.00000 0.00977 O3A 0.13394 0.22970 0.13187 1.00000 0.01564 O3B -0.12772 0.22982 -0.12091 1.00000 0.01201 O4A 0.86621 0.79547 0.87448 1.00000 0.01441 O4B -0.86764 0.80423 -0.87141 1.00000 0.01024 O5 0.03257 -0.04391 -0.49280 1.00000 0.01963 O6A 0.23276 -0.18095 0.38105 1.00000 0.00853 O6B -0.21636 -0.16412 -0.40035 1.00000 0.02159 O-H7A 0.19802 0.24812 0.40272 1.00000 0.02029 O-H7B -0.15587 0.24211 -0.42153 1.00000 0.01611 O-H8A 0.36511 0.00509 0.04720 1.00000 0.01688 O-H8B -0.36776 0.01244 -0.04430 1.00000 0.00851 Wat9A 0.44551 0.01799 0.28105 1.00000 0.02797 Wat9B -0.42261 0.05557 -0.27720 1.00000 0.02251 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 SrMA 0.01685 0.03131 0.00981 0.00062 0.00277 -0.00027 CaMB 0.01382 0.01467 0.00806 -0.00299 0.00249 -0.00126 SrMB 0.01382 0.01467 0.00806 -0.00299 0.00249 -0.00126 Mn3+A 0.01376 0.01534 0.00735 -0.00041 -0.00067 0.00177 Fe3+A 0.01376 0.01534 0.00735 -0.00041 -0.00067 0.00177 Mn3+B 0.00778 0.02368 0.00639 -0.00012 0.00238 0.00118 Fe3+B 0.00778 0.02368 0.00639 -0.00012 0.00238 0.00118 Si1A 0.00985 0.01759 0.00791 0.00095 -0.00035 0.00098 Si1B 0.00924 0.02700 0.00382 -0.00033 0.00066 0.00402 Si2A 0.01442 0.03301 0.00700 -0.00550 0.00069 -0.01076 Si2B 0.01434 0.02367 0.00439 -0.00458 0.00129 0.00461