data_global _chemical_name_mineral 'Atencioite' loop_ _publ_author_name 'Rastsvetaeva R K' 'Barinova A V' 'Chukanov N V' 'Pietraszko A' _journal_name_full 'Doklady Chemistry' _journal_volume 398 _journal_year 2004 _journal_page_first 191 _journal_page_last 195 _publ_section_title ; Crystal structure of a magnesium-rich triclinic analogue of greifensteinite ; _database_code_amcsd 0019973 _chemical_compound_source 'Galileia, Minas Gerais, Brazil' _chemical_formula_sum 'Ca2 Fe2.5 Mn.2 Al.1 Mg2.2 P6 Be4 O34 H16' _cell_length_a 6.668 _cell_length_b 9.879 _cell_length_c 9.883 _cell_angle_alpha 73.53 _cell_angle_beta 85.60 _cell_angle_gamma 86.93 _cell_volume 622.127 _exptl_crystal_density_diffrn 2.853 _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_occupancy _atom_site_U_iso_or_equiv Ca 0.74570 0.26050 0.73820 1.00000 0.01494 Fe2+M1 0.00000 0.00000 0.00000 0.50000 0.01760 Mn2+M1 0.00000 0.00000 0.00000 0.20000 0.01760 AlM1 0.00000 0.00000 0.00000 0.10000 0.01760 MgM2 0.50000 0.00000 0.00000 0.20000 0.02026 MgM3 0.49250 0.99340 0.66360 0.55000 0.01393 Fe3+M3 0.49250 0.99340 0.66360 0.25000 0.01393 Fe2+M3 0.49250 0.99340 0.66360 0.20000 0.01393 Fe2+M4 -0.00210 0.66740 0.99040 0.55000 0.01684 MgM4 -0.00210 0.66740 0.99040 0.45000 0.01684 P1 0.24690 0.27030 0.72520 1.00000 0.01153 P2 0.48000 0.69620 0.93040 1.00000 0.01115 P3 -0.02450 0.93220 0.69730 1.00000 0.01001 Be1 0.69800 0.51300 0.15300 1.00000 0.01773 Be2 0.80800 0.84360 0.49400 1.00000 0.01013 O1 0.20120 0.96020 0.32640 1.00000 0.01140 O2 0.70000 0.32670 0.95910 1.00000 0.01393 O3 0.44870 0.61990 0.81730 1.00000 0.01520 O4 0.32590 0.36570 0.99370 1.00000 0.01520 O5 0.66710 0.58730 0.28100 1.00000 0.01773 O6 0.42140 0.16220 0.75390 1.00000 0.01520 O7 0.06970 0.23000 0.84090 1.00000 0.01646 O8 0.50590 0.85410 0.85960 1.00000 0.01267 O9 0.17370 0.00370 0.63090 1.00000 0.01393 O10 0.15730 0.28140 0.58480 1.00000 0.01646 O11 0.93830 0.81730 0.62630 1.00000 0.01520 O12 -0.00040 0.13570 0.14180 1.00000 0.01520 O-H1 0.56130 0.86300 0.53790 1.00000 0.01140 O-H2 0.93490 0.46360 0.13700 1.00000 0.01520 Wat3 0.72040 0.04080 0.95710 1.00000 0.02913 OW1 0.21890 0.48870 0.32680 1.00000 0.01900 OW2 0.27400 0.67140 0.51530 1.00000 0.02660 H1 -0.19400 0.57300 -0.41500 1.00000 0.03800 H2 -0.31500 0.54600 -0.27600 1.00000 0.03800 H3 0.79900 0.28900 0.45400 1.00000 0.03800 H4 0.76700 0.40000 0.51000 1.00000 0.03800