data_global _chemical_name_mineral 'Wopmayite' loop_ _publ_author_name 'Cooper M A' 'Hawthorne F C' 'Abdu Y A' 'Ball N A' 'Ramik R A' 'Tait K T' _journal_name_full 'The Canadian Mineralogist' _journal_volume 51 _journal_year 2013 _journal_page_first 93 _journal_page_last 106 _publ_section_title ; Wopmayite, ideally Ca6Na3[]Mn(PO4)3(PO3OH)4, a new phosphate mineral from the Tanco Mine, Bernic Lake, Manitoba: description and crystal structure ; _database_code_amcsd 0019803 _chemical_compound_source 'the Tanco Mine, Bernic Lake, Manitoba, Canada' _chemical_formula_sum 'Mn.56 Fe.25 Mg.11 Al.08 Ca7.53 Na1.67 P7 O28 H1.45' _cell_length_a 10.3926 _cell_length_b 10.3926 _cell_length_c 37.1694 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 3476.679 _exptl_crystal_density_diffrn 3.026 _symmetry_space_group_name_H-M 'R 3 c' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,1/2+z' '2/3+x,1/3+x-y,5/6+z' '1/3+x,2/3+x-y,1/6+z' '-y,-x,1/2+z' '2/3-y,1/3-x,5/6+z' '1/3-y,2/3-x,1/6+z' '-x+y,y,1/2+z' '2/3-x+y,1/3+y,5/6+z' '1/3-x+y,2/3+y,1/6+z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+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 Mn2+M 0.00000 0.00000 0.00000 0.56000 0.00901 Fe3+M 0.00000 0.00000 0.00000 0.11000 0.00901 Fe2+M 0.00000 0.00000 0.00000 0.14000 0.00901 MgM 0.00000 0.00000 0.00000 0.11000 0.00901 AlM 0.00000 0.00000 0.00000 0.08000 0.00901 Ca1 0.28367 0.14635 0.56677 0.97000 0.01148 Na1 0.28367 0.14635 0.56677 0.03000 0.01148 Ca2 0.39191 0.18197 0.76755 0.95000 0.01160 Na2 0.39191 0.18197 0.76755 0.05000 0.01160 Ca3 0.28110 0.14942 0.67411 0.59000 0.02920 Na3 0.28110 0.14942 0.67411 0.41000 0.02920 P1 0.31498 0.14281 0.86592 1.00000 0.00993 P2 0.35226 0.15731 0.96824 1.00000 0.01012 P3 0.00000 0.00000 0.75840 0.85000 0.01080 P4 0.00000 0.00000 0.73350 0.15000 0.01080 NaX 0.00000 0.00000 0.81360 0.20000 0.11000 O1 0.27070 0.09550 0.82566 0.80000 0.01880 O-H1 0.27070 0.09550 0.82566 0.20000 0.01880 O2 0.24300 0.22980 0.87911 1.00000 0.02000 O3 0.27170 0.00030 0.88666 1.00000 0.01410 O4 0.48540 0.24090 0.86853 1.00000 0.01610 O5 0.39790 0.04630 0.95471 1.00000 0.01820 O6 0.41700 0.30170 0.94682 1.00000 0.02130 O7 0.18080 0.08070 0.96383 1.00000 0.01440 O8 0.39980 0.19480 0.00773 1.00000 0.01750 O-H9 0.00000 0.00000 0.80220 0.85000 0.02450 O10 -0.01650 0.13120 0.74664 1.00000 0.01950 O11 0.00000 0.00000 0.69310 0.15000 0.03400 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 Mn2+M 0.00900 0.00900 0.00900 0.00450 0.00000 0.00000 Fe3+M 0.00900 0.00900 0.00900 0.00450 0.00000 0.00000 Fe2+M 0.00900 0.00900 0.00900 0.00450 0.00000 0.00000 MgM 0.00900 0.00900 0.00900 0.00450 0.00000 0.00000 AlM 0.00900 0.00900 0.00900 0.00450 0.00000 0.00000 Ca1 0.01270 0.01140 0.01140 0.00690 -0.00174 -0.00247 Na1 0.01270 0.01140 0.01140 0.00690 -0.00174 -0.00247 Ca2 0.01200 0.01050 0.01230 0.00560 -0.00306 -0.00080 Na2 0.01200 0.01050 0.01230 0.00560 -0.00306 -0.00080 Ca3 0.04220 0.02730 0.02880 0.02550 -0.01570 -0.01290 Na3 0.04220 0.02730 0.02880 0.02550 -0.01570 -0.01290 P1 0.01040 0.01030 0.01000 0.00590 -0.00010 0.00010 P2 0.01030 0.01060 0.00970 0.00540 0.00060 0.00100 P3 0.00880 0.00880 0.01480 0.00440 0.00000 0.00000 P4 0.00880 0.00880 0.01480 0.00440 0.00000 0.00000 NaX 0.06500 0.06500 0.19000 0.03300 0.00000 0.00000 O1 0.02110 0.02670 0.00930 0.01240 -0.00090 -0.00170 O-H1 0.02110 0.02670 0.00930 0.01240 -0.00090 -0.00170 O2 0.02580 0.02640 0.01900 0.02140 0.00230 0.00000 O3 0.01480 0.01180 0.01270 0.00440 0.00090 0.00200 O4 0.01270 0.01310 0.02100 0.00530 0.00050 0.00080 O5 0.02330 0.02290 0.01490 0.01650 0.00100 -0.00160 O6 0.02560 0.01480 0.01930 0.00710 0.00360 0.00750 O7 0.01310 0.01460 0.01610 0.00750 -0.00180 -0.00160 O8 0.02200 0.01910 0.01250 0.01120 -0.00360 -0.00040 O-H9 0.02600 0.02600 0.02200 0.01280 0.00000 0.00000 O10 0.01940 0.01270 0.02880 0.00980 0.00720 0.00480