data_global _chemical_name_mineral 'Phurcalite' loop_ _publ_author_name 'Atencio D' 'Neumann R' 'Silva A J G C' 'Mascarenhas Y P' _journal_name_full 'The Canadian Mineralogist' _journal_volume 29 _journal_year 1991 _journal_page_first 95 _journal_page_last 105 _publ_section_title ; Phurcalite from Perus, San Paulo, Brazil, and redetermination of its crystal structure ; _database_code_amcsd 0005255 _chemical_compound_source 'Perus, San Paulo, Brazil' _chemical_formula_sum 'U3 Ca2 P2 O23' _cell_length_a 17.415 _cell_length_b 16.035 _cell_length_c 13.598 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 3797.235 _exptl_crystal_density_diffrn 4.283 _symmetry_space_group_name_H-M 'P b c a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+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 U1 0.34330 0.21370 0.61230 ? U2 0.45150 0.21710 0.86880 ? U3 0.23740 0.23480 0.86610 ? Ca4 0.14560 0.04530 0.03130 ? Ca5 0.08980 0.10980 0.28840 ? P6 0.15760 0.24660 0.62050 ? P7 0.03160 0.19280 0.88770 ? O8 0.34180 0.39780 0.09400 ? O9 0.34160 0.17440 0.13100 ? O10 0.43940 0.11430 0.91600 0.02026 O11 0.47210 0.31820 0.81800 ? O12 0.22930 0.37270 0.40500 ? O13 0.23280 0.34380 0.82800 ? O14 0.34430 0.30200 0.27500 ? O15 0.20630 0.20440 0.70200 ? O16 0.21100 0.26700 0.03100 ? O17 0.34580 0.26690 0.94700 ? O18 0.47470 0.24100 0.54600 ? O19 0.48340 0.16800 0.70400 0.02913 O20 0.09840 0.24880 0.35800 ? O21 0.08460 0.19730 0.60580 ? O22 0.14170 0.16040 0.14100 ? O23 0.06050 0.11500 0.93700 ? O24 0.47120 0.06600 0.13900 ? O25 0.03460 0.48000 0.64700 ? O26 0.36300 0.04500 0.39300 ? O27 0.28070 0.47200 0.56400 ? O28 0.32630 0.00800 0.77500 ? O29 0.14000 0.46200 0.21800 ? O30 0.60800 0.42700 0.53700 ? 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 U1 0.01320 0.01470 0.00680 -0.00100 -0.00020 -0.00020 U2 0.00830 0.01690 0.00940 -0.00070 -0.00040 0.00140 U3 0.00930 0.01810 0.00570 0.00090 -0.00030 -0.00050 Ca4 0.01500 0.01700 0.02000 0.00300 0.00000 -0.00100 Ca5 0.04100 0.02600 0.01600 -0.00800 0.00400 -0.00400 P6 0.00800 0.02600 0.01000 0.00400 -0.00200 -0.00200 P7 0.00300 0.01900 0.01500 0.00100 -0.00100 0.00000 O8 0.02200 0.00900 0.02400 -0.00200 0.00000 -0.00400 O9 0.02100 0.00800 0.03400 -0.00500 0.00400 -0.01000 O11 0.01800 0.01100 0.02600 0.00400 -0.00500 0.00500 O12 0.01200 0.01900 0.03000 0.00100 -0.00400 -0.00300 O13 0.03700 0.01600 0.00900 0.00100 -0.00800 -0.00600 O14 0.00700 0.03000 0.01700 0.00000 0.00200 -0.00800 O15 0.02500 0.00200 0.01500 -0.00500 0.00900 0.00000 O16 0.01800 0.04000 0.01100 0.00500 0.01000 -0.00400 O17 0.01600 0.01600 0.01400 0.00200 -0.00900 -0.00500 O18 0.02000 0.04000 0.01900 -0.00700 -0.00900 0.00100 O20 0.00700 0.01500 0.02200 -0.00600 -0.00500 -0.00700 O21 0.03000 0.01300 0.01300 0.00500 -0.00100 -0.01000 O22 0.00800 0.01600 0.02300 0.00600 0.00200 -0.00100 O23 0.02500 0.05000 0.02300 0.00100 0.00800 0.00300 O24 0.04000 0.04000 0.04000 0.00000 -0.02000 0.00000 O25 0.05000 0.04000 0.01000 -0.00600 0.00800 -0.02300 O26 0.06000 0.02000 0.05000 0.00800 0.02000 0.00900 O27 0.02600 0.04000 0.05000 -0.00300 0.01600 -0.01000 O28 0.05000 0.02000 0.05000 -0.00700 -0.00800 -0.01200 O29 0.09000 0.03000 0.03000 0.00000 -0.02000 -0.00500 O30 0.05000 0.04000 0.03000 0.01300 -0.00200 -0.00500