data_global _chemical_name_mineral 'Calcybeborosilite-(Y)' loop_ _publ_author_name 'Rastsvetaeva R K' 'Pushcharovsky D Y' 'Pekov I V' 'Voloshin A V' _journal_name_full 'Kristallografiya' _journal_volume 41 _journal_year 1996 _journal_page_first 235 _journal_page_last 239 _publ_section_title ; Crystal structure of calcybeborosilite and its place in the datolite-gadolinite isomorphous series ; _database_code_amcsd 0014195 _chemical_formula_sum '(Ca.9 Y.84 Ce.26) Fe.25 Mn.05 (B Be) Si2 O10 H1.3' _cell_length_a 9.846 _cell_length_b 7.600 _cell_length_c 4.766 _cell_angle_alpha 90 _cell_angle_beta 90.11 _cell_angle_gamma 90 _cell_volume 356.637 _exptl_crystal_density_diffrn 3.736 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-x,-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 CaM1 0.33100 0.10660 0.99750 0.45000 0.01824 YM1 0.33100 0.10660 0.99750 0.42000 0.01824 CeM1 0.33100 0.10660 0.99750 0.13000 0.01824 FeM2 0.00000 0.00000 0.00000 0.25000 0.02153 MnM2 0.00000 0.00000 0.00000 0.05000 0.02153 BT2 0.33900 0.41400 0.54400 0.50000 0.02026 BeT2 0.33900 0.41400 0.54400 0.50000 0.02026 SiT1 0.08080 0.27050 0.48350 1.00000 0.01887 O1 0.03300 0.40600 0.24400 1.00000 0.02660 O2 0.45300 0.29200 0.67400 1.00000 0.02913 O3 0.20200 0.33700 0.68400 1.00000 0.03040 O4 0.14500 0.09800 0.30700 1.00000 0.03293 O5 0.33100 0.41000 0.23400 0.35000 0.02406 O-H5 0.33100 0.41000 0.23400 0.65000 0.02406