data_global _chemical_name_mineral 'Weinebeneite' loop_ _publ_author_name 'Walter F' _journal_name_full 'European Journal of Mineralogy' _journal_volume 4 _journal_year 1992 _journal_page_first 1275 _journal_page_last 1283 _publ_section_title ; Weinebeneite, CaBe3(PO4)2(OH)2.4H2O, a new mineral species: mineral data and crystal structure ; _database_code_amcsd 0006463 _chemical_formula_sum 'P2 Be3 Ca O14 H10' _cell_length_a 11.897 _cell_length_b 9.707 _cell_length_c 9.633 _cell_angle_alpha 90 _cell_angle_beta 95.76 _cell_angle_gamma 90 _cell_volume 1106.842 _exptl_crystal_density_diffrn 2.179 _symmetry_space_group_name_H-M 'C 1 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' 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 P1 0.27850 0.09850 0.14090 1.00000 0.00684 P2 -0.27800 0.09920 0.36060 1.00000 0.00899 Be1 -0.30060 0.88170 0.16130 1.00000 0.00823 Be2 -0.19250 0.38210 0.34600 1.00000 0.00988 Be3 0.00140 0.51840 0.25170 1.00000 0.00836 Ca 0.11240 0.08530 0.37180 1.00000 0.01672 O1 -0.09390 0.61630 0.16500 1.00000 0.01102 O2 0.21500 0.77950 0.69710 1.00000 0.01229 O3 0.23880 0.97250 0.22130 1.00000 0.00899 O4 0.24310 0.92300 0.48470 1.00000 0.01127 O5 0.28530 0.72130 0.30290 1.00000 0.01292 O6 0.25730 0.58360 0.51770 1.00000 0.01153 O7 0.09430 0.62100 0.33230 1.00000 0.01583 O8 0.25970 0.46760 0.29050 1.00000 0.01254 O-H9 0.06380 0.42120 0.14420 1.00000 0.01368 O-H10 -0.06220 0.42630 0.36030 1.00000 0.01317 Wat1 -0.52540 0.64530 0.18810 1.00000 0.02343 Wat2 0.49180 0.38070 0.37800 1.00000 0.02786 Wat3 0.49050 0.36290 0.04370 1.00000 0.02647 Wat41 0.22500 0.74740 0.00350 0.55000 0.02774 Wat42 0.19500 0.73230 0.00610 0.45000 0.02204 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 P1 0.00710 0.00570 0.00760 0.00170 0.00150 0.00010 P2 0.00810 0.00940 0.00950 0.00090 0.00140 -0.00060 Be1 0.00830 0.00910 0.00730 -0.00080 -0.00240 -0.00730 Be2 0.01360 0.00360 0.01250 -0.00070 0.00890 -0.00220 Be3 0.00590 0.01200 0.00720 -0.00190 0.00020 0.00090 Ca 0.01440 0.01970 0.01600 0.00410 0.00490 0.00190 O1 0.01030 0.01090 0.01170 0.00120 -0.00240 0.00440 O2 0.01350 0.00680 0.01660 -0.00210 0.00430 -0.00060 O3 0.01070 0.00790 0.00830 -0.00290 0.00110 0.00430 O4 0.01230 0.01140 0.01000 0.00550 0.00250 0.00270 O5 0.01630 0.00960 0.01280 -0.00290 0.00710 0.00100 O6 0.01440 0.01670 0.00350 -0.00060 0.00050 -0.00090 O7 0.00490 0.01780 0.02490 0.00190 0.00110 -0.00820 O8 0.00840 0.01230 0.01690 -0.00040 -0.00350 -0.00410 O-H9 0.01160 0.01430 0.01500 0.00100 0.00290 -0.00350 O-H10 0.00840 0.01820 0.01290 -0.00050 0.00380 0.00510