data_global _chemical_name_mineral 'Nizamoffite' loop_ _publ_author_name 'Kampf A R' 'Falster A U' 'Simmons W B' 'Whitmore R W' _journal_name_full 'American Mineralogist' _journal_volume 98 _journal_year 2013 _journal_page_first 1893 _journal_page_last 1898 _publ_section_title ; Nizamoffite, Mn2+Zn2(PO4)2(H2O)4, the Mn analogue of hopeite from the Palermo No. 1 pegmatite, North Groton, New Hampshire ; _database_code_amcsd 0020015 _chemical_compound_source 'the Palermo No. 1 pegmatite, North Groton, New Hampshire, USA' _chemical_formula_sum 'Mn.973 Ca.004 Mg.063 Al.008 Fe.114 Zn1.796 P2 O12 H8' _cell_length_a 10.6530 _cell_length_b 18.4781 _cell_length_c 5.05845 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 995.742 _exptl_crystal_density_diffrn 2.943 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-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_occupancy _atom_site_U_iso_or_equiv Mn1 0.25984 0.25000 0.06749 0.81900 0.01561 Ca1 0.25984 0.25000 0.06749 0.00400 0.01561 Mg1 0.25984 0.25000 0.06749 0.06300 0.01561 Al1 0.25984 0.25000 0.06749 0.00800 0.01561 Fe1 0.25984 0.25000 0.06749 0.08000 0.01561 Zn2 0.14319 0.49905 0.20876 0.89800 0.01274 Mn2 0.14319 0.49905 0.20876 0.07700 0.01274 Fe2 0.14319 0.49905 0.20876 0.01700 0.01274 P 0.39727 0.40719 0.22699 1.00000 0.01341 OW1 0.10778 0.75000 0.24530 1.00000 0.02340 H1 0.11000 0.71420 0.15900 1.00000 0.05000 OW2 0.10760 0.25000 0.34790 1.00000 0.03220 H2A 0.03700 0.25000 0.30100 1.00000 0.05000 H2B 0.11600 0.22100 0.47100 0.50000 0.05000 OW3 0.34053 0.66755 0.32600 1.00000 0.03040 H3A 0.39200 0.63550 0.39000 1.00000 0.05000 H3B 0.28200 0.63600 0.28000 0.50000 0.05000 H3C 0.37700 0.70600 0.38000 0.25000 0.05000 H3D 0.34900 0.67000 0.15800 0.25000 0.05000 O4 0.35988 0.32957 0.28340 1.00000 0.02280 O5 0.10004 0.57806 0.43180 1.00000 0.03020 O6 0.02485 0.42282 0.14280 1.00000 0.02200 O7 0.30179 0.46036 0.36100 1.00000 0.01810 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 Mn1 0.01387 0.01930 0.01360 0.00000 -0.00115 0.00000 Ca1 0.01387 0.01930 0.01360 0.00000 -0.00115 0.00000 Mg1 0.01387 0.01930 0.01360 0.00000 -0.00115 0.00000 Al1 0.01387 0.01930 0.01360 0.00000 -0.00115 0.00000 Fe1 0.01387 0.01930 0.01360 0.00000 -0.00115 0.00000 Zn2 0.01190 0.01533 0.01099 -0.00030 0.00021 -0.00080 Mn2 0.01190 0.01533 0.01099 -0.00030 0.00021 -0.00080 Fe2 0.01190 0.01533 0.01099 -0.00030 0.00021 -0.00080 P 0.01610 0.01180 0.01230 0.00119 -0.00014 0.00082 OW1 0.02340 0.02720 0.01980 0.00000 -0.00230 0.00000 OW2 0.01930 0.05090 0.02640 0.00000 0.00160 0.00000 OW3 0.02980 0.02650 0.03470 0.00800 0.00270 0.00300 O4 0.03220 0.01690 0.01930 -0.00590 -0.00810 0.00230 O5 0.05550 0.02010 0.01490 0.01200 -0.00650 -0.00370 O6 0.01470 0.01810 0.03340 -0.00200 0.00280 -0.00520 O7 0.01510 0.02340 0.01580 0.00480 -0.00280 -0.00360