data_global _chemical_name_mineral 'Stanfieldite' loop_ _publ_author_name 'Dickens B' 'Brown W E' _journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen' _journal_volume 16 _journal_year 1971 _journal_page_first 79 _journal_page_last 104 _publ_section_title ; The crystal structure of Ca7Mg9(Ca,Mg)2(PO4)12 ; _database_code_amcsd 0015640 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca8.02 Mg9.98 P12 O48' _cell_length_a 22.8410 _cell_length_b 9.994 _cell_length_c 17.088 _cell_angle_alpha 90 _cell_angle_beta 99.63 _cell_angle_gamma 90 _cell_volume 3845.761 _exptl_crystal_density_diffrn 2.942 _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 Ca1 0.00000 0.10430 0.25000 1.00000 Ca2 0.18664 0.34813 0.43359 1.00000 Ca3 0.33977 0.45242 0.06518 1.00000 Ca4 0.41099 0.08359 0.39193 1.00000 Ca 0.06623 0.10430 0.08842 0.51000 Mg 0.06623 0.10430 0.08842 0.49000 Mg1 0.00000 0.57340 0.25000 1.00000 Mg2 0.23620 0.13340 0.13010 1.00000 Mg3 0.39329 0.35220 0.26416 1.00000 Mg4 0.23448 0.38240 0.22490 1.00000 Mg5 0.42031 0.09060 0.05163 1.00000 P1 0.31679 0.38196 0.39954 1.00000 P2 0.16277 0.11525 0.27448 1.00000 P3 0.36202 0.08020 0.21366 1.00000 P4 0.19428 0.37852 0.02436 1.00000 P5 -0.00032 0.35040 0.09497 1.00000 P6 0.47412 0.36320 0.11792 1.00000 O1 0.25670 0.41580 0.34480 1.00000 O2 0.30150 0.32030 0.47490 1.00000 O3 0.35710 0.29220 0.36020 1.00000 O4 0.34500 0.52210 0.41920 1.00000 O5 0.10110 0.12110 0.22280 1.00000 O6 0.16270 0.16270 0.35930 1.00000 O7 0.20790 0.18990 0.23410 1.00000 O8 0.18190 -0.03540 0.28250 1.00000 O9 0.37740 0.00340 0.14250 1.00000 O10 0.41950 0.15320 0.25740 1.00000 O11 0.34130 -0.00930 0.27640 1.00000 O12 0.31720 0.19100 0.18600 1.00000 O13 0.24420 0.41760 -0.02160 1.00000 O14 0.22340 0.33080 0.10740 1.00000 O15 0.15220 0.27340 -0.02040 1.00000 O16 0.15740 0.50580 0.03030 1.00000 O17 -0.05270 0.39710 0.03160 1.00000 O18 0.05680 0.34790 0.05720 1.00000 O19 -0.00940 0.21110 0.12680 1.00000 O20 0.01050 0.45510 0.16120 1.00000 O21 0.42880 0.40610 0.16900 1.00000 O22 0.45010 0.42040 0.03590 1.00000 O23 0.53400 0.42630 0.15300 1.00000 O24 0.48140 0.20950 0.11780 1.00000 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 Ca1 0.00886 0.01077 0.01165 0.00000 0.00532 0.00000 Ca2 0.01202 0.00544 0.00582 0.00152 0.00279 0.00050 Ca3 0.01367 0.01304 0.01077 0.00469 -0.00317 -0.00507 Ca4 0.00999 0.00924 0.00482 0.00278 0.00254 0.00241 Ca 0.02394 0.03217 0.01836 0.01089 0.00734 0.00190 Mg 0.02394 0.03217 0.01836 0.01089 0.00734 0.00190 Mg1 0.00760 0.01077 0.01697 0.00000 0.00723 0.00000 Mg2 0.00786 0.00646 0.00569 0.00786 0.00229 -0.00026 Mg3 0.01051 0.01254 0.01799 0.00469 0.00696 0.00595 Mg4 0.00912 0.00735 0.00418 -0.00139 0.00088 -0.00063 Mg5 0.00722 0.00823 0.00798 -0.00101 0.00190 0.00038 P1 0.00645 0.00557 0.00393 0.00114 0.00190 0.00038 P2 0.00609 0.00418 0.00545 -0.00089 0.00229 -0.00038 P3 0.00480 0.00646 0.00342 -0.00050 0.00229 0.00000 P4 0.00545 0.00544 0.00329 0.00101 0.00102 0.00026 P5 0.00938 0.00646 0.00709 -0.00139 0.00063 0.00152 P6 0.00532 0.00671 0.01823 -0.00101 0.00292 -0.00190 O1 0.00658 0.01000 0.00558 0.00164 0.00077 -0.00102 O2 0.02533 0.01773 0.00887 0.00633 0.00924 0.00747 O3 0.01141 0.00950 0.01014 0.00519 0.00444 -0.00089 O4 0.01076 0.00811 0.01520 -0.00139 0.00152 -0.00329 O5 0.00773 0.02153 0.01646 -0.00342 -0.00127 0.00126 O6 0.02027 0.01013 0.00633 -0.00494 0.00519 -0.00063 O7 0.01177 0.00684 0.01014 -0.00089 0.00632 -0.00165 O8 0.00963 0.00456 0.01393 0.00025 0.00571 -0.00026 O9 0.01177 0.00924 0.00759 -0.00152 0.00469 -0.00152 O10 0.00596 0.00975 0.00659 -0.00291 0.00013 -0.00076 O11 0.00938 0.01140 0.00633 -0.00342 0.00215 0.00266 O12 0.00812 0.00924 0.00887 0.00215 0.00013 -0.00050 O13 0.00963 0.01267 0.00785 -0.02077 0.00571 -0.00253 O14 0.01647 0.00836 0.00342 0.00558 0.00025 0.00013 O15 0.00735 0.00709 0.01140 0.00013 0.00025 -0.00215 O16 0.00912 0.00570 0.01014 0.00355 0.00215 0.00076 O17 0.01521 0.01520 0.01014 0.00506 -0.00190 0.00076 O18 0.01521 0.02027 0.01140 -0.00164 0.00748 0.00253 O19 0.01773 0.01393 0.01899 -0.00506 -0.00381 0.00886 O20 0.01773 0.01773 0.01267 -0.00469 0.00292 -0.00760 O21 0.02913 0.01520 0.04433 0.00887 0.02660 0.01393 O22 0.05572 0.01647 0.02660 0.00760 0.00507 0.00380 O23 0.00786 0.01267 0.05573 0.00000 -0.00759 -0.01140 O24 0.01064 0.00760 0.02279 -0.00164 -0.00127 -0.00126