data_global _chemical_name_mineral 'Ephesite' loop_ _publ_author_name 'Slade P G' 'Schultz P K' 'Dean C' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1987 _journal_year 1987 _journal_page_first 275 _journal_page_last 287 _publ_section_title ; Refinement of the ephesite structure in C1 symmetry Note: polytype 2M1 ; _database_code_amcsd 0014816 _chemical_compound_source 'Postmasburg, district, South Africa' _chemical_formula_sum 'Na Li Al4 Si2 O12 H2' _cell_length_a 5.123 _cell_length_b 8.872 _cell_length_c 19.307 _cell_angle_alpha 89.97 _cell_angle_beta 95.15 _cell_angle_gamma 89.96 _cell_volume 873.984 _exptl_crystal_density_diffrn 2.949 _symmetry_space_group_name_H-M 'C 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+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 Na 0.00000 -0.09140 -0.25000 1.00000 0.01089 Na* -0.00090 0.08330 -0.75080 1.00000 0.01191 Li1 -0.25200 0.25000 -0.00490 1.00000 0.00887 Li1* -0.25800 -0.24700 -0.50370 1.00000 0.01330 Al2 -0.75140 -0.91990 -0.00030 1.00000 0.00215 Al2* -0.74440 0.91070 -0.50050 1.00000 0.00215 Al3 -0.26250 -0.09050 -0.00010 1.00000 0.00215 Al3* -0.25520 0.08120 -0.50050 1.00000 0.00215 SiT1 -0.46950 -0.92620 -0.14350 0.90000 0.00266 AlT1 -0.46950 -0.92620 -0.14350 0.10000 0.00266 SiT1* -0.46340 0.91770 -0.64260 0.10000 0.00266 AlT1* -0.46340 0.91770 -0.64260 0.90000 0.00266 SiT11 -0.53960 -0.08370 -0.85810 0.10000 0.00266 AlT11 -0.53960 -0.08370 -0.85810 0.90000 0.00266 SiT11* -0.53400 0.07480 -0.35700 0.90000 0.00266 AlT11* -0.53400 0.07480 -0.35700 0.10000 0.00266 SiT2 -0.46190 -0.25520 -0.14310 0.10000 0.00266 AlT2 -0.46190 -0.25520 -0.14310 0.90000 0.00266 SiT2* -0.45580 0.24940 -0.64420 0.90000 0.00266 AlT2* -0.45580 0.24940 -0.64420 0.10000 0.00266 SiT22 -0.54670 -0.75130 -0.85760 0.90000 0.00266 AlT22 -0.54670 -0.75130 -0.85760 0.10000 0.00266 SiT22* -0.54210 0.74500 -0.35870 0.10000 0.00266 AlT22* -0.54210 0.74500 -0.35870 0.90000 0.00266 O1 -0.95460 -0.43350 -0.05540 1.00000 0.00342 O1* -0.94640 0.43040 -0.55200 1.00000 0.00342 O11 -0.05120 -0.56590 -0.94740 1.00000 0.00342 O11* -0.04440 0.56110 -0.44370 1.00000 0.00342 O2 -0.40990 -0.25830 -0.05240 1.00000 0.00342 O2* -0.40970 0.24410 -0.55740 1.00000 0.00342 O22 -0.60670 -0.75710 -0.94350 1.00000 0.00342 O22* -0.61120 0.74410 -0.44910 1.00000 0.00342 O3 -0.36050 -0.08290 -0.17260 1.00000 0.00583 O3* -0.35690 0.08890 -0.67280 1.00000 0.00583 O33 -0.65380 -0.91220 -0.82830 1.00000 0.00583 O33* -0.64760 0.91770 -0.32840 1.00000 0.00583 O4 -0.29080 -0.78360 -0.16610 1.00000 0.00583 O4* -0.26470 0.76590 -0.66550 1.00000 0.00583 O44 -0.73210 -0.23330 -0.83550 1.00000 0.00583 O44* -0.70750 0.21440 -0.33610 1.00000 0.00583 O5 -0.27790 -0.40100 -0.17430 1.00000 0.00583 O5* -0.28900 0.38260 -0.67410 1.00000 0.00583 O55 -0.71640 -0.61470 -0.82920 1.00000 0.00583 O55* -0.72620 0.59710 -0.32860 1.00000 0.00583 O-h1 -0.44910 -0.57580 -0.04990 1.00000 0.00355 O-h1' -0.43980 0.56850 -0.54730 1.00000 0.00355 O-h11 -0.55500 -0.43660 -0.95110 1.00000 0.00355 O-h11' -0.54760 0.42970 -0.44900 1.00000 0.00355 H1 -0.42900 -0.59000 -0.09500 1.00000 0.01925 H1* -0.46500 0.57500 -0.59400 1.00000 0.01925 H11 -0.54600 -0.42400 -0.90400 1.00000 0.01925 H11* -0.57400 0.41600 -0.40500 1.00000 0.01925