data_global _chemical_name_mineral 'Greifensteinite' loop_ _publ_author_name 'Rastsvetaeva R K' 'Gurbanova O A' 'Chukanov N V' _journal_name_full 'Doklady Chemistry' _journal_volume 383 _journal_year 2002 _journal_page_first 78 _journal_page_last 81 _publ_section_title ; Crystal structure of greifensteinite Ca2Be4(Fe2+,Mn)5(PO4)6(OH)4*6H2O ; _database_code_amcsd 0012508 _chemical_compound_source 'Greifenstein, Saxony, Germany' _chemical_formula_sum 'Ca Be2 (Fe1.6 Al.2 Mg.2) Mn.35 P3 O17 H7.65' _cell_length_a 15.903 _cell_length_b 11.885 _cell_length_c 6.677 _cell_angle_alpha 90 _cell_angle_beta 94.68 _cell_angle_gamma 90 _cell_volume 1257.793 _exptl_crystal_density_diffrn 2.902 _symmetry_space_group_name_H-M 'C 1 2/c 1' 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,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-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 Ca 0.00000 0.25800 0.25000 1.00000 0.02069 Be 0.33230 0.17460 0.29900 1.00000 0.01887 Fe 0.17080 0.16190 0.99660 0.80000 0.01520 Al 0.17080 0.16190 0.99660 0.10000 0.01520 Mg 0.17080 0.16190 0.99660 0.10000 0.01520 Mn 0.00000 0.00000 0.00000 0.35000 0.01684 P1 0.18670 0.11820 0.47830 1.00000 0.01305 P2 0.00000 0.27400 0.75000 1.00000 0.01596 O1 0.35800 0.49550 0.49360 1.00000 0.01900 O2 0.28040 0.09780 0.44650 1.00000 0.01925 O3 0.14320 0.18310 0.30100 1.00000 0.02090 O4 0.31940 0.31320 0.32720 1.00000 0.01849 O5 0.46170 0.29930 0.07410 1.00000 0.02495 O6 0.43270 0.14920 0.33330 1.00000 0.02508 O-H 0.30070 0.16230 0.06470 1.00000 0.01950 Ow1 0.09390 0.41900 0.22550 1.00000 0.02647 Wat2 0.00000 0.04090 0.25000 0.65000 0.05041 O-H2 0.00000 0.04090 0.25000 0.35000 0.05041 H1 0.07900 0.49400 0.19390 1.00000 0.05066 H2 0.13500 0.41100 0.31500 1.00000 0.06333