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