data_global _chemical_name_mineral 'Kristiansenite' loop_ _publ_author_name 'Ferraris G' 'Gula A' 'Ivaldi G' 'Nespolo M' 'Raade G' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 216 _journal_year 2001 _journal_page_first 442 _journal_page_last 448 _publ_section_title ; Crystal structure of kristiansenite: a case of class IIB twinning by metric merohedry ; _database_code_amcsd 0011092 _chemical_compound_source 'amazonite pegmatite, Heftetjern, Tordal, Telemark, Norway' _chemical_formula_sum 'Ca4 Sn2.07 Fe.41 Sc1.52 Si8 O28 H2' _cell_length_a 10.028 _cell_length_b 8.408 _cell_length_c 13.339 _cell_angle_alpha 90.01 _cell_angle_beta 109.10 _cell_angle_gamma 90.00 _cell_volume 1062.768 _exptl_crystal_density_diffrn 3.662 _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 Ca1 0.39930 0.15230 0.13100 1.00000 0.01510 Ca2 0.60060 0.14910 0.86140 1.00000 0.01590 Ca3 0.10120 0.94840 0.36270 1.00000 0.01690 Ca4 -0.09950 0.94530 0.63400 1.00000 0.01620 SnM1 0.14016 0.53380 0.38844 0.99000 0.00620 FeM1 0.14016 0.53380 0.38844 0.01000 0.00620 SnM2 0.64100 0.56330 0.88820 0.61000 0.00720 ScM2 0.64100 0.56330 0.88820 0.39000 0.00720 SnM3 0.35500 0.56310 0.10884 0.30000 0.00730 ScM3 0.35500 0.56310 0.10884 0.50000 0.00730 FeM3 0.35500 0.56310 0.10884 0.20000 0.00730 SnM4 0.85430 0.53630 0.60890 0.17000 0.00940 ScM4 0.85430 0.53630 0.60890 0.63000 0.00940 FeM4 0.85430 0.53630 0.60890 0.20000 0.00940 Si1 0.37350 0.76700 0.31970 1.00000 0.00780 Si2 0.16530 0.87590 0.11620 1.00000 0.00680 Si3 0.62850 0.76760 0.67910 1.00000 0.00870 Si4 0.83270 0.87670 0.88190 1.00000 0.00700 Si5 0.33200 0.22090 0.38110 1.00000 0.00700 Si6 0.12850 0.33210 0.17740 1.00000 0.00690 Si7 0.66520 0.22450 0.61520 1.00000 0.00690 Si8 0.87100 0.33110 0.81850 1.00000 0.00770 O1 0.41530 0.60960 0.26810 1.00000 0.01000 O-H2 0.51090 0.85320 0.40110 1.00000 0.00500 O3 0.24920 0.73420 0.36940 1.00000 0.01000 O4 0.30080 0.89480 0.22500 1.00000 0.01100 O5 0.18630 0.02200 0.04490 1.00000 0.01100 O6 0.17240 0.70360 0.06510 1.00000 0.01300 O7 0.02560 0.89870 0.15310 1.00000 0.01000 O8 0.74830 0.73780 0.62770 1.00000 0.01200 O9 0.58280 0.61140 0.72980 1.00000 0.01100 O10 0.69460 0.89650 0.77390 1.00000 0.01100 O11 0.48730 0.84740 0.59290 1.00000 0.01000 O12 0.81360 0.02500 -0.04640 1.00000 0.01000 O13 0.82430 0.70160 -0.06850 1.00000 0.01100 O14 -0.02640 0.89470 0.84510 1.00000 0.01000 O15 0.81120 0.57900 0.45340 1.00000 0.01000 O16 0.47600 0.20490 0.35120 1.00000 0.01000 O17 0.32240 0.39610 0.43160 1.00000 0.01000 O18 0.19630 0.19920 0.27010 1.00000 0.01000 O19 0.24030 0.37000 0.11690 1.00000 0.00600 O20 0.08920 0.49280 0.23050 1.00000 0.00900 O21 -0.01580 0.25810 0.09250 1.00000 0.01300 O22 0.19140 0.58040 0.54310 1.00000 0.00800 O23 0.67030 0.39740 0.56230 1.00000 0.01000 O24 0.52040 0.20630 0.64290 1.00000 0.00700 O25 0.80170 0.19830 0.72420 1.00000 0.01000 O26 -0.08710 0.48850 0.76650 1.00000 0.01000 O27 0.75710 0.36840 0.87730 1.00000 0.01000 O-H28 0.01400 0.25680 -0.09600 1.00000 0.01500