data_global _chemical_name_mineral 'Triploidite' loop_ _publ_author_name 'Waldrop L' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 131 _journal_year 1970 _journal_page_first 1 _journal_page_last 20 _publ_section_title ; The crystal structure of triploidite and its relation to the structures of other minerals of the triplite-triploidite group Refinement with reflections for which I > 1.2Imin, this is the poorer refinement ; _database_code_amcsd 0010706 _chemical_compound_source 'Branchville, Connecticut, USA' _chemical_formula_sum '(Mn1.5 Fe.5) P O5 H' _cell_length_a 12.366 _cell_length_b 13.276 _cell_length_c 9.943 _cell_angle_alpha 90 _cell_angle_beta 108.23 _cell_angle_gamma 90 _cell_volume 1550.422 _exptl_crystal_density_diffrn 3.810 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+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 Mn1 0.18740 0.47840 0.18810 0.75000 0.00557 Fe1 0.18740 0.47840 0.18810 0.25000 0.00557 Mn2 0.19700 0.99680 0.21000 0.75000 0.01039 Fe2 0.19700 0.99680 0.21000 0.25000 0.01039 Mn3 0.30470 0.75170 0.29580 0.75000 0.00950 Fe3 0.30470 0.75170 0.29580 0.25000 0.00950 Mn4 0.31840 0.26960 0.30850 0.75000 0.00595 Fe4 0.31840 0.26960 0.30850 0.25000 0.00595 Mn5 0.09740 0.07100 0.46600 0.75000 0.00279 Fe5 0.09740 0.07100 0.46600 0.25000 0.00279 Mn6 0.08370 0.57470 0.44480 0.75000 0.00304 Fe6 0.08370 0.57470 0.44480 0.25000 0.00304 Mn7 0.39400 0.67460 0.03420 0.75000 0.00329 Fe7 0.39400 0.67460 0.03420 0.25000 0.00329 Mn8 0.42320 0.17810 0.04480 0.75000 0.00671 Fe8 0.42320 0.17810 0.04480 0.25000 0.00671 P1 0.07780 0.82250 0.37890 1.00000 0.00532 P2 0.07410 0.32740 0.38230 1.00000 0.00481 P3 0.42290 0.42300 0.11420 1.00000 0.00431 P4 0.42380 0.92850 0.11990 1.00000 0.00469 O1 0.04750 0.41320 0.46550 1.00000 0.00393 O2 0.05960 0.90560 0.47530 1.00000 0.00545 O3 0.42940 0.84160 0.01730 1.00000 0.00874 O4 0.45690 0.33780 0.02740 1.00000 0.00988 O5 0.02510 0.04780 0.23950 1.00000 0.00760 O6 0.04450 0.55420 0.22680 1.00000 0.00874 O7 0.47060 0.70310 0.26470 1.00000 0.00342 O8 0.46810 0.20200 0.26510 1.00000 0.00937 O9 0.17140 0.84900 0.31160 1.00000 0.00127 O10 0.16880 0.35950 0.31970 1.00000 0.00253 O11 0.32540 0.38410 0.16740 1.00000 0.01102 O12 0.34020 0.90570 0.20220 1.00000 0.00722 O13 0.11890 0.72770 0.47360 1.00000 0.00874 O14 0.11510 0.23280 0.47490 1.00000 0.01013 O15 0.38780 0.02080 0.02680 1.00000 0.00836 O16 0.38060 0.51160 0.01710 1.00000 0.00811 O-H17 0.25650 0.03130 0.43540 1.00000 0.00456 O-H18 0.20570 0.16130 0.19070 1.00000 0.00861 O-H19 0.24050 0.72040 0.06990 1.00000 0.00697 O-H20 0.30230 0.58220 0.31100 1.00000 0.00912