data_global _chemical_name_mineral 'Kainosite-(Y)' loop_ _publ_author_name 'Giuseppetti G' 'Tadini C' 'Oddone M' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1989 _journal_year 1989 _journal_page_first 153 _journal_page_last 164 _publ_section_title ; Cenosite-(Y) from Baveno, Novara (Italy): crystal structure ; _database_code_amcsd 0014836 _chemical_compound_source 'Baveno, Novara, Italy' _chemical_formula_sum 'Ca2 Y2 Si4 C O16 H2' _cell_length_a 13.011 _cell_length_b 14.310 _cell_length_c 6.757 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1258.068 _exptl_crystal_density_diffrn 3.381 _symmetry_space_group_name_H-M 'P m n b' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,y,z' '1/2+x,-y,-z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' 'x,1/2+y,1/2-z' '-x,1/2-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_U_iso_or_equiv Ca 0.07720 0.45230 0.30010 0.01621 Y 0.05680 0.21870 0.11170 0.01254 Si1 0.13070 0.14690 0.61120 0.01254 Si2 0.13120 0.43090 0.83890 0.01279 C1 0.25000 0.12430 0.11290 0.01849 O1 0.11270 0.03530 0.55690 0.01735 O2 0.05240 0.17070 0.79270 0.01532 O3 0.09540 0.21640 0.43820 0.01735 O4 0.25000 0.16000 0.67290 0.01836 O5 0.05250 0.41960 0.65400 0.01608 O6 0.11110 0.36130 0.01900 0.01672 O7 0.25000 0.42660 0.75710 0.01659 O8 0.16390 0.08170 0.11480 0.02140 O9 0.25000 0.21420 0.10780 0.02090 O10 0.25000 0.38100 0.36250 0.02660 H1 0.25000 0.31900 0.33500 0.03800 H2 0.25000 0.36900 0.50600 0.03800 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 0.01973 0.01452 0.01434 -0.00283 0.00178 -0.00294 Y 0.01715 0.01141 0.00925 0.00094 -0.00223 -0.00049 Si1 0.01458 0.01245 0.01064 0.00094 0.00045 0.00000 Si2 0.01458 0.01245 0.01110 0.00000 -0.00045 0.00000 C1 0.01973 0.02075 0.01457 0.00000 0.00000 0.00294 O1 0.02144 0.01245 0.01781 -0.00094 -0.00134 0.00049 O2 0.01801 0.01764 0.01087 0.00094 0.00045 -0.00049 O3 0.02401 0.01764 0.01087 0.00283 -0.00045 0.00147 O4 0.01458 0.02282 0.01804 0.00000 0.00000 0.00049 O5 0.01629 0.01867 0.01318 -0.00189 -0.00178 -0.00098 O6 0.02144 0.01452 0.01434 -0.00094 0.00178 0.00147 O7 0.01458 0.02282 0.01249 0.00000 0.00000 -0.00098 O8 0.01887 0.01764 0.02776 -0.00094 0.00178 0.00245 O9 0.02230 0.01764 0.02290 0.00000 0.00000 0.00147 O10 0.02916 0.02801 0.02220 0.00000 0.00000 -0.00245