data_global _chemical_name_mineral 'Caryochroite' loop_ _publ_author_name 'Soboleva S V' 'Boeva N M' 'Kartashov P M' 'Bortnikov N S' _journal_name_full 'Doklady Earth Sciences' _journal_volume 510 _journal_year 2023 _journal_page_first 415 _journal_page_last 421 _publ_section_title ; Caryochroite, a rare mineral from the titanosilicate group: Crystal structure, crystal chemistry, and thermal properties ; _database_code_amcsd 0021218 _chemical_compound_source 'Umbozero mine, Mt. Alluaiv, Lovozero alkaline pluton, Russia' _chemical_formula_sum 'Na1.18 Sr.62 Ca.4 Mn1.34 K.26 Fe9.14 Ti1.86 Si12 O54 H20' _cell_length_a 16.550 _cell_length_b 5.281 _cell_length_c 24.25 _cell_angle_alpha 90 _cell_angle_beta 93.0 _cell_angle_gamma 90 _cell_volume 2116.559 _exptl_crystal_density_diffrn 3.141 _symmetry_space_group_name_H-M 'P 1 2/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,y,1/2-z' '1/2+x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na 0.25000 0.40000 0.25000 1.00000 SrA 0.52000 0.84000 0.28000 0.31000 CaA 0.52000 0.84000 0.28000 0.20000 NaA 0.52000 0.84000 0.28000 0.09000 MnA 0.52000 0.84000 0.28000 0.17000 KA 0.52000 0.84000 0.28000 0.13000 Fe1 0.09700 0.50900 -0.00800 1.00000 Fe2 0.30000 0.55000 -0.01300 1.00000 Fe3 0.20000 0.04300 -0.01800 1.00000 Fe4 0.40200 0.02300 -0.01200 1.00000 Fe2+ 0.50000 0.50000 0.00000 1.00000 Mn 0.00000 0.00000 0.00000 1.00000 Ti 0.30000 0.90000 0.83800 0.93000 Fe 0.30000 0.90000 0.83800 0.07000 Si1 0.42300 0.39000 0.88500 1.00000 Si2 0.16900 0.38600 0.87700 1.00000 Si3 0.02000 0.65000 0.10800 1.00000 Si4 0.12100 0.14000 0.10000 1.00000 Si5 0.39700 0.66200 0.10000 1.00000 Si6 0.30200 0.14800 0.09500 1.00000 O1 0.40000 0.36500 -0.05200 1.00000 O2 0.19200 0.40200 -0.05800 1.00000 O3 0.01000 0.66000 0.04200 1.00000 O4 0.11000 0.16000 0.03400 1.00000 O5 0.30300 0.17500 0.02900 1.00000 O6 0.40000 0.69000 0.03500 1.00000 O7 0.30000 0.90000 -0.06700 1.00000 O8 0.51600 0.41300 0.87000 1.00000 O9 0.39300 0.14500 0.84900 1.00000 O10 0.39200 0.65000 0.85100 1.00000 O11 0.23500 0.59500 0.83900 1.00000 O12 0.21000 0.14500 0.85000 1.00000 O13 0.07000 0.36000 0.86700 1.00000 O14 0.92400 0.60200 0.88300 1.00000 O15 0.93000 0.09000 0.87400 1.00000 O16 0.78400 0.85500 0.87600 1.00000 O17 0.65500 0.58700 0.88600 1.00000 O18 0.63900 0.07200 0.87800 1.00000 O19 0.25000 0.80000 0.75000 1.00000 O-H1 0.09200 0.86300 -0.05000 1.00000 O-H2 0.49600 0.14500 0.04400 1.00000 O-H3 0.20200 0.69600 0.02600 1.00000 O-H4 0.53000 0.45000 0.27000 1.00000 O-H5 0.40000 0.87000 0.76000 1.00000 O-H6 0.39000 0.40000 0.25000 1.00000 O-H7 0.65000 0.29500 0.30300 1.00000 Wat1 0.25000 0.25000 0.75000 1.00000 Wat2 0.66000 0.45000 0.22700 1.00000