data_global _chemical_name_mineral 'Amesite' loop_ _publ_author_name 'Zheng H' 'Bailey S W' _journal_name_full 'Clays and Clay Minerals' _journal_volume 45 _journal_year 1997 _journal_page_first 301 _journal_page_last 310 _publ_section_title ; Refinement of an amesite-2H1 polytype from Postmasburg, South Africa Note: polytype 2H1 ; _database_code_amcsd 0018811 _chemical_compound_source 'Postmasburg, South Africa' _chemical_formula_sum 'Mg2 Al2 Si O9 H4' _cell_length_a 5.299 _cell_length_b 9.181 _cell_length_c 14.050 _cell_angle_alpha 90.06 _cell_angle_beta 90.30 _cell_angle_gamma 90.00 _cell_volume 683.524 _exptl_crystal_density_diffrn 2.708 _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 MgM1 0.16990 0.16950 0.23410 0.87000 0.00760 AlM1 0.16990 0.16950 0.23410 0.13000 0.00760 AlM2 0.66630 0.00070 0.23410 0.62000 0.00920 MgM2 0.66630 0.00070 0.23410 0.38000 0.00920 MgM3 0.66970 0.33220 0.23450 0.85000 0.00820 AlM3 0.66970 0.33220 0.23450 0.15000 0.00820 SiT1 0.50000 0.16670 0.03830 0.72000 0.00840 AlT1 0.50000 0.16670 0.03830 0.28000 0.00840 AlT2 0.00120 0.33600 0.03880 0.72000 0.01100 SiT2 0.00120 0.33600 0.03880 0.28000 0.01100 O1 0.49700 0.16320 0.15820 1.00000 0.00800 O2 -0.00300 0.33750 0.16140 1.00000 0.01100 O3 0.58400 0.00360 -0.00230 1.00000 0.01600 O4 0.21500 0.21200 -0.00360 1.00000 0.01600 O5 0.70700 0.29200 0.00170 1.00000 0.02000 O-h1 -0.01100 -0.00100 0.16150 1.00000 0.01100 O-h2 0.33000 -0.00300 0.30300 1.00000 0.02400 O-h3 0.32600 0.33600 0.30290 1.00000 0.02200 O-h4 -0.17300 0.15900 0.30300 1.00000 0.01800 AlM11 0.34060 0.33480 0.73420 0.50000 0.00810 MgM11 0.34060 0.33480 0.73420 0.50000 0.00810 MgM22 0.34300 0.00300 0.73450 0.90000 0.00890 AlM22 0.34300 0.00300 0.73450 0.10000 0.00890 AlM33 0.84090 0.17060 0.73430 0.50000 0.00810 MgM33 0.84090 0.17060 0.73430 0.50000 0.00810 AlT11 0.50970 0.17060 0.53900 0.72000 0.01200 SiT11 0.50970 0.17060 0.53900 0.28000 0.01200 SiT22 0.00830 0.33440 0.53860 0.72000 0.01000 AlT22 0.00830 0.33440 0.53860 0.28000 0.01000 Oll 0.51900 0.17800 0.66200 1.00000 0.01200 O22 0.01800 0.33300 0.65810 1.00000 0.01400 O33 0.42900 0.00030 0.50010 1.00000 0.01400 O44 0.29000 0.29000 0.49600 1.00000 0.01500 O55 0.79900 0.21300 0.49720 1.00000 0.02200 O-hll 0.00700 0.00400 0.66270 1.00000 0.01300 O-h22 0.17900 0.17700 0.80370 1.00000 0.01900 O-h33 0.19100 0.50500 0.80400 1.00000 0.01500 O-h44 0.67700 0.33300 0.80470 1.00000 0.01800 H1 0.98400 0.99800 0.08900 1.00000 ? H2 0.35300 0.96900 0.37100 1.00000 ? H3 0.30800 0.32500 0.37400 1.00000 ? H4 0.84600 0.16900 0.37800 1.00000 ? H11 0.00600 0.00400 0.58800 1.00000 ? H22 0.19000 0.19700 0.87600 1.00000 ? H33 0.16200 0.50500 0.87800 1.00000 ? H44 0.68500 0.31500 0.87600 1.00000 ? 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 MgM1 0.00700 0.00700 0.00900 -0.00120 0.00050 0.00060 AlM1 0.00700 0.00700 0.00900 -0.00120 0.00050 0.00060 AlM2 0.00800 0.00800 0.01100 -0.00170 0.00040 0.00070 MgM2 0.00800 0.00800 0.01100 -0.00170 0.00040 0.00070 MgM3 0.00700 0.00700 0.01000 -0.00130 0.00060 0.00070 AlM3 0.00700 0.00700 0.01000 -0.00130 0.00060 0.00070 SiT1 0.00700 0.00700 0.01100 -0.00310 0.00120 0.00080 AlT1 0.00700 0.00700 0.01100 -0.00310 0.00120 0.00080 AlT2 0.00900 0.01000 0.01300 -0.00350 0.00100 0.00100 SiT2 0.00900 0.01000 0.01300 -0.00350 0.00100 0.00100 O1 0.00700 0.00700 0.00800 -0.00100 0.00000 0.00000 O2 0.01000 0.01100 0.01100 0.00000 0.00000 0.00000 O3 0.01600 0.01600 0.01700 0.00000 0.00100 0.00000 O4 0.01600 0.01600 0.01700 -0.00100 0.00000 0.00100 O5 0.02000 0.02000 0.02100 -0.00100 0.00000 0.00100 O-h1 0.01100 0.01100 0.01200 0.00000 0.00000 0.00000 O-h2 0.02420 0.02450 0.02390 0.00000 0.00000 0.00000 O-h3 0.02200 0.02300 0.02200 0.00000 0.00000 0.00000 O-h4 0.01800 0.01800 0.01700 0.00000 0.00000 0.00000 AlM11 0.00800 0.00700 0.01000 -0.00190 0.00040 0.00050 MgM11 0.00800 0.00700 0.01000 -0.00190 0.00040 0.00050 MgM22 0.00700 0.00900 0.01000 -0.00150 -0.00020 0.00070 AlM22 0.00700 0.00900 0.01000 -0.00150 -0.00020 0.00070 AlM33 0.00700 0.00700 0.01000 -0.00220 0.00040 0.00030 MgM33 0.00700 0.00700 0.01000 -0.00220 0.00040 0.00030 AlT11 0.01200 0.01100 0.01400 -0.00320 0.00100 0.00100 SiT11 0.01200 0.01100 0.01400 -0.00320 0.00100 0.00100 SiT22 0.01000 0.01000 0.01200 -0.00210 0.00060 0.00050 AlT22 0.01000 0.01000 0.01200 -0.00210 0.00060 0.00050 Oll 0.01200 0.01100 0.01200 -0.00200 0.00000 0.00100 O22 0.01300 0.01400 0.01400 0.00000 0.00000 0.00000 O33 0.01400 0.01400 0.01500 0.00000 0.00000 0.00100 O44 0.01500 0.01500 0.01600 0.00000 0.00000 0.00000 O55 0.02200 0.02200 0.02200 0.00000 0.00000 0.00000 O-hll 0.01300 0.01400 0.01400 0.00000 0.00000 0.00000 O-h22 0.01900 0.01900 0.01900 0.00000 0.00000 0.00000 O-h33 0.01500 0.01500 0.01500 -0.00100 0.00000 0.00000 O-h44 0.01800 0.01800 0.01700 -0.00100 0.00000 0.00000