data_1001818 _chemical_name_systematic ; Potassium sodium barium magnesium zinc manganese iron aluminium titanium chromium silicon oxide hydroxide * ; _chemical_name_mineral 'Hendricksite 1M' _chemical_compound_source 'from Franklin Furnace, New Jersey, USA' _chemical_formula_structural ; (K.89 Na.10 Ba.04) (Mg1.57 Zn.54 Mn.40 Fe.25 Al.07 Ti.07 Cr.01) (Si2.92 Al1.08) O10 (O H)2 ; _chemical_formula_sum ; H2 Al1.15 Ba.04 Cr.01 Fe.25 K.89 Mg1.57 Mn.4 Na.1 O12 Si2.92 Ti.07 Zn.54 ; _publ_section_title ; Crystal Structure Refinement of Hendricksite, a Zn- and Mn-rich Trioctahedral Potassium Mica: a Contribution to the Crystal Chemistry of Zinc-Bearing Minerals ; loop_ _publ_author_name 'Robert, J=L' 'Gasperin, M' _journal_name_full ; TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-) ; _journal_coden_ASTM TTMMDZ _journal_volume 34 _journal_year 1985 _journal_page_first 1 _journal_page_last 14 _cell_length_a 5.340(2) _cell_length_b 9.524(2) _cell_length_c 10.235(3) _cell_angle_alpha 90 _cell_angle_beta 100.07(2) _cell_angle_gamma 90 _cell_volume 512.5 _cell_formula_units_Z 2 _exptl_crystal_density_meas 3.4 _symmetry_space_group_name_H-M 'C 1 2/m 1' _symmetry_Int_Tables_number 12 _symmetry_cell_setting monoclinic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'x,-y,z' '-x,-y,-z' '-x,y,-z' '1/2+x,1/2+y,z' '1/2+x,1/2-y,z' '1/2-x,1/2-y,-z' '1/2-x,1/2+y,-z' loop_ _atom_type_symbol _atom_type_oxidation_number K1+ 1.000 Na1+ 1.000 Ba2+ 2.000 Mg2+ 2.000 Zn2+ 2.000 Mn2+ 2.000 Fe2+ 2.000 Ti4+ 4.000 Al3+ 3.000 Cr3+ 3.000 Si4+ 4.000 O2- -2.000 H1+ 1.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag K1 K1+ 2 a 0. 0. 0. 0.89 0 d Na1 Na1+ 2 a 0. 0. 0. 0.1 0 d Ba1 Ba2+ 2 ? -1. -1. -1. 0.04 0 dum Mg1 Mg2+ 2 d 0. 0.5 0.5 0.524 0 d Zn1 Zn2+ 2 d 0. 0.5 0.5 0.18 0 d Mn1 Mn2+ 2 d 0. 0.5 0.5 0.1334 0 d Fe1 Fe2+ 2 d 0. 0.5 0.5 0.084 0 d Ti1 Ti4+ 2 d 0. 0.5 0.5 0.024 0 d Al1 Al3+ 2 d 0. 0.5 0.5 0.0192 0 d Cr1 Cr3+ 2 d 0. 0.5 0.5 0.002 0 d Mg2 Mg2+ 4 h 0. 0.8317(2) 0.5 0.524 0 d Zn2 Zn2+ 4 h 0. 0.8317(2) 0.5 0.18 0 d Mn2 Mn2+ 4 h 0. 0.8317(2) 0.5 0.1334 0 d Fe2 Fe2+ 4 h 0. 0.8317(2) 0.5 0.084 0 d Ti2 Ti4+ 4 h 0. 0.8317(2) 0.5 0.024 0 d Al2 Al3+ 4 h 0. 0.8317(2) 0.5 0.0192 0 d Cr2 Cr3+ 4 h 0. 0.8317(2) 0.5 0.002 0 d Si1 Si4+ 8 j 0.5750(4) 0.1668(2) 0.2252(2) 0.73 0 d Al3 Al3+ 8 j 0.5750(4) 0.1668(2) 0.2252(2) 0.27 0 d O1 O2- 8 j 0.8242(10) 0.2331(7) 0.1674(6) 1. 0 d O2 O2- 4 i 0.5211(17) 0. 0.1671(9) 1. 0 d O3 O2- 8 j 0.6313(9) 0.1663(6) 0.3898(5) 1. 0 d O4 O2- 4 i 0.1297(13) 0. 0.3949(8) 1. 1 d H1 H1+ 4 ? -1. -1. -1. 1. 0 dum loop_ _atom_site_aniso_label _atom_site_aniso_B_11 _atom_site_aniso_B_12 _atom_site_aniso_B_13 _atom_site_aniso_B_22 _atom_site_aniso_B_23 _atom_site_aniso_B_33 K1 2.36(17) 0. 0.64(15) 2.53(17) 0. 2.44(20) Na1 2.36(17) 0. 0.64(15) 2.53(17) 0. 2.44(20) Mg1 0.07(11) 0. 0.15(11) 0.31(10) 0. 0.61(12) Zn1 0.07(11) 0. 0.15(11) 0.31(10) 0. 0.61(12) Mn1 0.07(11) 0. 0.15(11) 0.31(10) 0. 0.61(12) Fe1 0.07(11) 0. 0.15(11) 0.31(10) 0. 0.61(12) Ti1 0.07(11) 0. 0.15(11) 0.31(10) 0. 0.61(12) Al1 0.07(11) 0. 0.15(11) 0.31(10) 0. 0.61(12) Cr1 0.07(11) 0. 0.15(11) 0.31(10) 0. 0.61(12) Mg2 0.08(7) 0. 0.08(6) 0.24(7) 0. 0.65(8) Zn2 0.08(7) 0. 0.08(6) 0.24(7) 0. 0.65(8) Mn2 0.08(7) 0. 0.08(6) 0.24(7) 0. 0.65(8) Fe2 0.08(7) 0. 0.08(6) 0.24(7) 0. 0.65(8) Ti2 0.08(7) 0. 0.08(6) 0.24(7) 0. 0.65(8) Al2 0.08(7) 0. 0.08(6) 0.24(7) 0. 0.65(8) Cr2 0.08(7) 0. 0.08(6) 0.24(7) 0. 0.65(8) Si1 0.46(7) -0.10(8) 0.23(6) 0.62(7) .00(7) 0.77(8) Al3 0.46(7) -0.10(8) 0.23(6) 0.62(7) .00(7) 0.77(8) O1 1.48(23) -0.37(21) 0.66(19) 2.36(27) -0.26(22) 1.18(24) O2 2.19(37) 0. 0.23(32) 1.71(30) 0. 1.22(41) O3 0.49(17) -0.21(18) .0(2) 0.75(21) -0.07(19) 0.77(20) _refine_ls_R_factor_all 0.072