data_global _chemical_name_mineral 'Tengchongite' loop_ _publ_author_name 'Li T' 'Fan G' 'Ge X' 'Wang T' 'Yu A' 'Deng L' _journal_name_full 'The Canadian Mineralogist' _journal_volume 60 _journal_year 2022 _journal_page_first 533 _journal_page_last 542 _publ_section_title ; Crystal structure of tengchongite with a revised chemical formula Ca(UO2)6(MoO4OH)2O2(OH)4*9H2O ; _database_code_amcsd 0021076 _chemical_compound_source 'Type sample from Tengchong County, Yunnan Province, China' _chemical_formula_sum 'Ca.96 Na.04 U6 Mo1.86 Si.04 P.04 O37 H24' _cell_length_a 13.0866 _cell_length_b 17.6794 _cell_length_c 15.6800 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 3627.775 _exptl_crystal_density_diffrn 4.146 _symmetry_space_group_name_H-M 'C 2 2 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' 'x,-y,-z' '1/2+x,1/2-y,-z' '-x,-y,1/2+z' '1/2-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 Ca 0.89259 0.11022 0.64392 0.48000 0.03487 Na 0.89259 0.11022 0.64392 0.02000 0.03487 U1 0.74960 0.27093 0.48457 1.00000 0.01991 U2 0.77624 0.20695 0.25350 1.00000 0.01830 U3 0.52535 0.17391 0.37445 1.00000 0.01862 Mo 0.00222 0.30274 0.39165 0.93000 0.02016 Si 0.00222 0.30274 0.39165 0.02000 0.02016 P 0.00222 0.30274 0.39165 0.02000 0.02016 O1 0.69861 0.35453 0.43550 1.00000 0.03010 O2 0.80355 0.19065 0.53788 1.00000 0.03272 O3 0.71618 0.29525 0.22899 1.00000 0.03114 O4 0.83393 0.11850 0.27419 1.00000 0.03215 O5 0.49640 0.27014 0.35178 1.00000 0.02946 O6 0.55000 0.07681 0.39400 1.00000 0.03284 O7 0.92473 0.26288 0.18914 1.00000 0.03755 O8 0.87624 0.26220 0.37114 1.00000 0.02467 O9 0.00481 0.39810 0.37052 1.00000 0.04208 O10 0.07936 0.27762 0.48454 1.00000 0.02616 O11 0.68968 0.20153 0.37591 1.00000 0.02376 O-H12 0.40383 0.16007 0.48681 1.00000 0.02541 O-H13 0.60638 0.14670 0.23114 1.00000 0.01760 O-H14 0.72014 0.32984 0.61236 1.00000 0.02513 Wat15 0.98730 0.09965 0.51686 0.50000 0.04500 Wat16 0.73135 0.05053 0.61799 0.50000 0.07721 Wat17 0.94548 -0.02174 0.63284 0.50000 0.07345 Wat18 0.91419 0.08840 0.79319 0.50000 0.08914 Wat19 0.38301 0.00000 0.50000 1.00000 0.07301 Wat20 0.64181 -0.00493 0.21278 1.00000 0.08670 Wat21 0.67406 0.47632 0.59598 1.00000 0.12564 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 Ca 0.03362 0.03029 0.04070 0.00255 0.00580 -0.00075 Na 0.03362 0.03029 0.04070 0.00255 0.00580 -0.00075 U1 0.01388 0.03531 0.01053 -0.00152 -0.00023 -0.00047 U2 0.01477 0.02956 0.01057 0.00037 0.00067 -0.00013 U3 0.01421 0.02878 0.01288 -0.00069 0.00018 0.00061 Mo 0.01225 0.03613 0.01211 0.00089 -0.00143 0.00100 Si 0.01225 0.03613 0.01211 0.00089 -0.00143 0.00100 P 0.01225 0.03613 0.01211 0.00089 -0.00143 0.00100 O1 0.03406 0.03923 0.01702 0.00813 0.00270 0.00847 O2 0.03425 0.04663 0.01726 0.00276 -0.00400 -0.00081 O3 0.03138 0.02937 0.03267 0.00192 -0.00380 0.00813 O4 0.03472 0.03706 0.02468 0.00865 -0.00073 0.00235 O5 0.03355 0.02811 0.02671 0.00552 -0.00631 0.00470 O6 0.03257 0.03822 0.02771 0.00147 0.00617 0.00737 O7 0.02292 0.07203 0.01769 -0.01861 -0.00263 0.00843 O8 0.01201 0.04597 0.01601 -0.00839 0.00102 -0.00044 O9 0.04824 0.04294 0.03505 -0.00896 0.00415 0.00703 O10 0.01668 0.05013 0.01167 0.00558 -0.00169 -0.00354 O11 0.01956 0.04192 0.00979 -0.00759 0.00374 -0.00451 O-H12 0.01833 0.04258 0.01533 0.00033 0.00529 0.00296 O-H13 0.01203 0.02729 0.01348 0.00251 -0.00041 0.00131 O-H14 0.02339 0.03743 0.01458 -0.00199 -0.00070 0.00048