data_global _chemical_name_mineral 'Dellaite' loop_ _publ_author_name 'Armbruster T' 'Lazic B' 'Gfeller F' 'Galuskin E V' 'Galuskina I O' 'Savelyeva V B' 'Zadov A E' 'Pertsev N N' 'Dzierzanowski P' _journal_name_full 'Mineralogical Magazine' _journal_volume 75 _journal_year 2011 _journal_page_first 379 _journal_page_last 394 _publ_section_title ; Chlorine content and crystal chemistry of dellaite from the Birkhin gabbro massif, Eastern Siberia, Russia Note: Cl-free dellaite ; _database_code_amcsd 0018879 _chemical_compound_source 'the Birkhin gabbro massif, Eastern Siberia, Russia' _chemical_formula_sum 'Ca6 Si3 O13 H2' _cell_length_a 6.8155 _cell_length_b 6.9363 _cell_length_c 12.8904 _cell_angle_alpha 90.652 _cell_angle_beta 97.659 _cell_angle_gamma 98.195 _cell_volume 597.495 _exptl_crystal_density_diffrn 2.972 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,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 Ca1 0.08078 0.19501 0.10167 0.01175 Ca2 0.19107 0.20688 0.48981 0.01202 Ca3 0.89363 0.46847 0.29036 0.01160 Ca4 0.55859 0.03393 0.32091 0.01210 Ca5 0.31655 0.19088 0.87633 0.01045 Ca6 0.59254 0.47476 0.70369 0.01015 Si1 0.61470 0.28863 0.09768 0.00786 Si2 0.81039 0.28402 0.88458 0.00744 Si3 0.71566 0.29857 0.50878 0.00753 O1 0.61764 0.48774 0.16476 0.01056 O2 0.39215 0.18998 0.05336 0.01277 O3 0.61669 0.18463 0.80559 0.01069 O4 0.74537 0.15293 0.17621 0.01106 O5 0.98600 0.14945 0.91036 0.01181 O-h6 0.23019 0.16600 0.30036 0.01620 O7 0.84627 0.12816 0.48669 0.01460 O-h8 0.19208 0.20696 0.68570 0.01360 O9 0.52307 0.21540 0.56576 0.01119 O10 0.74708 0.33538 0.99990 0.01450 O11 0.64136 0.36964 0.39136 0.01223 O12 0.83545 0.48247 0.58191 0.01078 O13 0.11403 0.51184 0.16863 0.01025 H6 0.19500 0.04500 0.28200 0.05100 H8 0.08300 0.11300 0.68300 0.04500 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 Ca1 0.01179 0.00962 0.01384 0.00088 0.00468 0.00299 Ca2 0.01053 0.01064 0.01462 0.00028 0.00181 0.00275 Ca3 0.00861 0.01672 0.00922 0.00005 0.00239 0.00048 Ca4 0.01715 0.00823 0.01085 0.00044 0.00417 0.00095 Ca5 0.01159 0.00971 0.01031 0.00048 0.00466 0.00009 Ca6 0.01043 0.01190 0.00880 0.00234 0.00298 0.00044 Si1 0.00845 0.00782 0.00741 0.00031 0.00247 0.00060 Si2 0.00768 0.00700 0.00773 0.00023 0.00275 0.00016 Si3 0.00792 0.00707 0.00770 0.00009 0.00258 0.00057 O1 0.01200 0.00960 0.01030 0.00110 0.00310 0.00150 O2 0.01030 0.01520 0.01200 0.00110 0.00180 0.00170 O3 0.01110 0.00940 0.01070 0.00110 0.00130 0.00040 O4 0.01200 0.00990 0.01130 0.00170 0.00150 0.00120 O5 0.01000 0.01070 0.01530 0.00240 0.00250 0.00050 O-h6 0.02260 0.01390 0.01270 0.00350 0.00370 0.00060 O7 0.01160 0.00950 0.02380 0.00200 0.00620 0.00100 O-h8 0.01440 0.01290 0.01310 0.00040 0.00300 0.00070 O9 0.01040 0.01130 0.01180 0.00130 0.00440 0.00060 O10 0.01720 0.01610 0.01070 0.00080 0.00750 0.00050 O11 0.01380 0.01430 0.00890 0.00170 0.00290 0.00160 O12 0.01160 0.00890 0.01120 0.00150 0.00210 0.00150 O13 0.01130 0.00910 0.01010 0.00160 0.00370 0.00070