data_global _chemical_name_mineral 'Franciscanite' loop_ _publ_author_name 'Pertlik F' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1986 _journal_year 1986 _journal_page_first 493 _journal_page_last 499 _publ_section_title ; The crystal structure of franciscanite, Mn3(Vx_1-x)(SiO4)(O,OH)3,(x ~ 0.5) California, USA ; _database_code_amcsd 0014805 _chemical_compound_source 'Franciscan Complex, Pennsylvania mine, Santa Clara County,' _chemical_formula_sum 'Mn3 V.5 Si O7 H3' _cell_length_a 8.1518 _cell_length_b 8.1518 _cell_length_c 4.8091 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 276.759 _exptl_crystal_density_diffrn 4.001 _symmetry_space_group_name_H-M 'P 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,x-y,z' '-x+y,-x,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn1 0.58480 0.89160 0.00000 1.00000 Mn2 0.40900 0.11510 0.49940 1.00000 V1 0.00000 0.00000 0.96090 0.64000 V2 0.00000 0.00000 0.43240 0.36000 Si1 0.33333 0.66667 0.43420 1.00000 Si2 0.66667 0.33333 0.93980 1.00000 O2 0.36660 0.86770 0.29450 1.00000 O22 0.62770 0.13170 0.79730 1.00000 O3 0.33333 0.66667 0.78440 1.00000 O33 0.66667 0.33333 0.26700 1.00000 O-H1 0.78890 0.83580 0.78140 1.00000 O-H11 0.21350 0.16300 0.26470 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 Mn1 0.01100 0.00500 0.01500 0.00000 -0.00100 -0.00100 Mn2 0.00900 0.01700 0.00900 0.00500 -0.00100 -0.00200 V1 0.00100 0.00100 0.03100 0.00000 0.00000 0.00000 V2 0.03500 0.03500 0.00100 0.01700 0.00000 0.00000 Si1 0.01500 0.01500 0.00700 0.00700 0.00000 0.00000 Si2 0.00600 0.00600 0.01000 0.00300 0.00000 0.00000 O2 0.00800 0.01200 0.01600 0.00000 0.00700 0.00200 O22 0.02200 0.00900 0.00900 0.00900 0.00600 0.00200 O3 0.01200 0.01200 0.03600 0.00600 0.00000 0.00000 O33 0.00100 0.00100 0.01500 0.00000 0.00000 0.00000 O-H1 0.02900 0.01300 0.02300 0.01300 -0.01300 -0.00900 O-H11 0.00300 0.02000 0.01100 0.00400 -0.00700 -0.00100