data_global _amcsd_formula_title 'KAlGeO4' loop_ _publ_author_name 'Sandomirskii P A' 'Meshalkin S S' 'Rozhdestvenskaya I V' 'Dem'yanets L N' 'Uvarova T G' _journal_name_full 'Kristallografiya' _journal_volume 31 _journal_year 1986 _journal_page_first 522 _journal_page_last 527 _publ_section_title ; Crystal structures of the D-phase of K(AlGeO4) and the C-phase of Na(AlGeO4) Note: x coordinate of O34 changed from .2264 to .2864 to match reported bond lengths Note: z coordinate of O23 changed from .2859 to .2598 to match reported bond lengths Note: y coordinate of O31 changed from .5328 to .5388 to match reported bond lengths ; _database_code_amcsd 0014188 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'K Al Ge O4' _cell_length_a 18.429 _cell_length_b 18.429 _cell_length_c 8.599 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 2529.194 _exptl_crystal_density_diffrn 3.194 _symmetry_space_group_name_H-M 'P 63' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x-y,x,1/2+z' '-y,x-y,z' '-x,-y,1/2+z' '-x+y,-x,z' 'y,-x+y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv K1 0.00000 0.00000 0.00220 0.01393 K2 0.33330 0.66670 0.98160 0.01165 K3 0.33330 0.66670 0.48170 0.01406 K4 0.47730 0.47310 0.49470 0.01596 K5 0.33180 0.14760 0.98900 0.01406 K6 0.33420 0.19740 0.49070 0.01406 Al1 0.15980 0.17100 0.17000 0.00545 Al2 0.33110 0.33050 0.79097 0.00355 Al3 0.32430 0.49970 0.19000 0.00342 Al4 0.16380 0.51000 0.69110 0.00494 Ge1 0.15580 0.16790 0.78260 0.00190 Ge2 0.33510 0.33470 0.18230 0.00329 Ge3 0.32140 0.49540 0.80530 0.00279 Ge4 0.16400 0.50550 0.30410 0.00253 O11 0.09470 0.19370 0.66760 0.00760 O12 0.12770 0.06260 0.77190 0.01013 O13 0.25930 0.22980 0.72370 0.00887 O14 0.14130 0.18930 0.97750 0.01140 O21 0.40610 0.30700 0.26000 0.00887 O22 0.36690 0.43680 0.24440 0.00760 O23 0.23600 0.26590 0.25980 0.01140 O24 0.33500 0.32570 0.99040 0.02026 O31 0.27040 0.53880 0.71080 0.00380 O32 0.42880 0.56430 0.80230 0.01013 O33 0.30020 0.40040 0.72580 0.01013 O34 0.28640 0.47960 0.00250 0.01520 O41 0.23740 0.47190 0.30780 0.01267 O42 0.20590 0.59990 0.20820 0.00760 O43 0.07190 0.43020 0.21820 0.01013 O44 0.14580 0.52490 0.49820 0.00887