data_global _chemical_name_mineral 'Magnesiopascoite' loop_ _publ_author_name 'Kampf A R' 'Steele I M' _journal_name_full 'The Canadian Mineralogist' _journal_volume 46 _journal_year 2008 _journal_page_first 679 _journal_page_last 686 _publ_section_title ; Magnesiopascoite, a new member of the pascoite group: description and crystal structure ; _database_code_amcsd 0006192 _chemical_compound_source 'Blue Cap mine, San Juan County, Utah, USA' _chemical_formula_sum 'Ca2 Mg V10 O44 H32' _cell_length_a 19.8442 _cell_length_b 9.9353 _cell_length_c 10.7149 _cell_angle_alpha 90 _cell_angle_beta 120.305 _cell_angle_gamma 90 _cell_volume 1823.855 _exptl_crystal_density_diffrn 2.458 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-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_U_iso_or_equiv Ca 0.76667 0.50000 0.91341 0.02140 Mg 0.00000 0.50000 0.50000 0.01980 V1 0.50000 0.33296 0.00000 0.01540 V2 0.54298 0.50000 0.79713 0.01640 V3 0.65679 0.50000 0.12750 0.01660 V4 0.38560 0.34654 0.67065 0.02200 O1 0.72650 0.50000 0.09020 0.02330 O2 0.54990 0.50000 0.14320 0.01590 O3 0.41600 0.37550 0.03210 0.01590 O4 0.44980 0.23160 0.85530 0.02140 O5 0.61950 0.50000 0.77990 0.02360 O6 0.48280 0.36500 0.68210 0.02090 O7 0.68210 0.63520 0.25600 0.02100 O8 0.34950 0.50000 0.56340 0.02420 O9 0.34700 0.22760 0.55500 0.03270 O10 0.87990 0.50000 0.42850 0.04150 O11 0.97850 0.50000 0.28800 0.04230 O12 0.71900 0.68380 0.74730 0.04330 O13 0.00000 0.70370 0.50000 0.04620 O14 0.84230 0.67190 0.08250 0.03610 O15 0.87650 0.50000 0.88310 0.05700 H10 0.87000 0.56600 0.46800 0.11730 H11 0.96600 0.56800 0.23900 0.11690 H12a 0.74800 0.74600 0.73900 0.09950 H12b 0.71300 0.62700 0.68300 0.06590 H13 0.00100 0.75100 0.44100 0.06600 H14a 0.82600 0.70000 0.13400 0.04630 H14b 0.86600 0.72900 0.06300 0.05420 H15 0.89600 0.56400 0.86800 0.06370 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 Ca 0.02180 0.02090 0.02620 0.00000 0.01570 0.00000 Mg 0.03040 0.01350 0.01820 0.00000 0.01420 0.00000 V1 0.01690 0.01310 0.01950 0.00000 0.01160 0.00000 V2 0.01590 0.02000 0.01650 0.00000 0.01060 0.00000 V3 0.01420 0.02100 0.01680 0.00000 0.00950 0.00000 V4 0.02080 0.02770 0.01930 -0.00490 0.01140 -0.00770 O1 0.01890 0.03050 0.02480 0.00000 0.01420 0.00000 O2 0.01590 0.01690 0.01640 0.00000 0.00940 0.00000 O3 0.01710 0.01560 0.01870 -0.00060 0.01170 0.00040 O4 0.02490 0.01770 0.02540 -0.00290 0.01550 -0.00330 O5 0.02160 0.02930 0.02600 0.00000 0.01660 0.00000 O6 0.02180 0.02450 0.02050 -0.00260 0.01380 -0.00520 O7 0.01810 0.02540 0.02150 -0.00460 0.01150 -0.00450 O8 0.02000 0.03530 0.01810 0.00000 0.01010 0.00000 O9 0.02990 0.03850 0.02990 -0.00890 0.01520 -0.01620 O10 0.03880 0.03680 0.04760 0.00000 0.02090 0.00000 O11 0.05690 0.04440 0.02510 0.00000 0.02020 0.00000 O12 0.03710 0.04650 0.03660 -0.01330 0.01150 0.01350 O13 0.09780 0.01780 0.05950 0.00000 0.06670 0.00000 O14 0.04960 0.03000 0.04250 -0.01640 0.03310 -0.00900 O15 0.06660 0.02480 0.12240 0.00000 0.07950 0.00000