data_global _chemical_name_mineral 'Whiteite-(CaMnMn)' loop_ _publ_author_name 'Yakovenchuk V N' 'Keck E' 'Krivovichev S V' 'Pakhomovsky Y A' 'Selivanova E A' 'Mikhailova J A' 'Chernyatieva A P' 'Ivanyuk G Y' _journal_name_full 'Mineralogical Magazine' _journal_volume 76 _journal_year 2012 _journal_page_first 2761 _journal_page_last 2771 _publ_section_title ; Whiteite-(CaMnMn), CaMnMn2Al2[PO4]4(OH)2*8H2O, a new mineral from the Hagendorf-Sud granitic pegmatite, Germany ; _database_code_amcsd 0019707 _chemical_compound_source 'Hagendorf-Sud granitic pegmatite, Germany' _chemical_formula_sum '(Ca.93 Zn.07) Mn2.96 Mg.04 (Al1.84 Fe.16) P4 O26 H18' _cell_length_a 15.020 _cell_length_b 6.959 _cell_length_c 10.137 _cell_angle_alpha 90 _cell_angle_beta 111.740 _cell_angle_gamma 90 _cell_volume 984.200 _exptl_crystal_density_diffrn 2.774 _symmetry_space_group_name_H-M 'P 1 2/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,y,-z' '1/2+x,-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 CaX 0.25000 0.97570 0.00000 0.93000 0.02160 ZnX 0.25000 0.97570 0.00000 0.07000 0.02160 MnM1 0.25000 0.47880 0.00000 0.99000 0.01850 MgM1 0.25000 0.47880 0.00000 0.01000 0.01850 MnM2a 0.50000 0.00000 0.50000 0.97000 0.01560 MgM2a 0.50000 0.00000 0.50000 0.03000 0.01560 MnM2b 0.25000 0.49571 0.50000 1.00000 0.01670 AlM3a 0.00000 0.00000 0.00000 0.87000 0.01250 FeM3a 0.00000 0.00000 0.00000 0.13000 0.01250 AlM3b 0.00000 0.50000 0.00000 0.97000 0.01350 FeM3b 0.00000 0.50000 0.00000 0.03000 0.01350 P1 0.17754 0.25640 0.18605 1.00000 0.01530 P2 0.07970 0.74922 0.80459 1.00000 0.01210 O1 0.26860 0.22980 0.14940 1.00000 0.03360 O2 0.20160 0.28390 0.34240 1.00000 0.02180 O3 0.11740 0.07860 0.13570 1.00000 0.04340 O4 0.13170 0.43510 0.09610 1.00000 0.02420 O5 0.18900 0.70850 0.85600 1.00000 0.03180 O6 0.04560 0.77380 0.64500 1.00000 0.02060 O7 0.07090 0.93400 0.88170 1.00000 0.03410 O8 0.02790 0.58170 0.84230 1.00000 0.02760 O-H9 0.02060 0.75080 0.07980 1.00000 0.01260 Wat10 0.22000 0.72900 0.33910 1.00000 0.03580 Wat11 0.44960 0.22050 0.33880 1.00000 0.03640 Wat12 0.63530 0.99750 0.47730 1.00000 0.03540 Wat13 0.39400 0.51210 0.50990 1.00000 0.03110 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 CaX 0.02930 0.00820 0.02300 0.00000 0.00460 0.00000 ZnX 0.02930 0.00820 0.02300 0.00000 0.00460 0.00000 MnM1 0.03000 0.01110 0.01490 0.00000 0.00880 0.00000 MgM1 0.03000 0.01110 0.01490 0.00000 0.00880 0.00000 MnM2a 0.03000 0.01110 0.01490 0.00000 0.00880 0.00000 MgM2a 0.03000 0.01110 0.01490 0.00000 0.00880 0.00000 MnM2b 0.01580 0.01220 0.01770 0.00070 0.00490 -0.00680 AlM3a 0.01640 0.01530 0.01900 0.00000 0.00730 0.00000 FeM3a 0.01640 0.01530 0.01900 0.00000 0.00730 0.00000 AlM3b 0.02090 0.00710 0.00900 -0.00030 0.00500 0.00210 FeM3b 0.02090 0.00710 0.00900 -0.00030 0.00500 0.00210 P1 0.01200 0.01050 0.02100 0.00140 0.00910 0.00230 P2 0.01510 0.01160 0.01650 0.00140 0.00290 -0.00180 O1 0.01780 0.00730 0.01240 0.00290 0.00700 0.00140 O2 0.02700 0.04700 0.03100 0.01600 0.01580 0.00900 O3 0.02500 0.02180 0.02000 -0.00300 0.00920 -0.00800 O4 0.05300 0.00770 0.04100 -0.00600 -0.01600 0.00040 O5 0.02500 0.01420 0.02810 0.00200 0.00360 0.00430 O6 0.02500 0.03800 0.02700 0.00700 0.00370 0.00600 O7 0.02700 0.02100 0.01020 -0.00100 0.00210 0.00080 O8 0.06700 0.00850 0.04000 0.00000 0.03600 0.00020 O-H9 0.05100 0.01060 0.02800 -0.00200 0.02260 -0.00300 Wat10 0.01410 0.00620 0.01530 -0.00010 0.00310 -0.00030 Wat11 0.04800 0.02400 0.02900 0.00500 0.00600 0.00170 Wat12 0.03900 0.02400 0.02500 -0.00600 -0.01300 -0.00200 Wat13 0.02300 0.03000 0.05900 -0.00600 0.02200 -0.01200