data_global _chemical_name_mineral 'Piemontite' loop_ _publ_author_name 'Nagashima M' 'Akasaka M' _journal_name_full 'American Mineralogist' _journal_volume 89 _journal_year 2004 _journal_page_first 1119 _journal_page_last 1129 _publ_section_title ; An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 1.5, p = 1.26, Synthesis at P=200 MPa, T=500 C ; _database_code_amcsd 0003593 _chemical_formula_sum 'Ca2 (Al1.74 Mn1.26) Si3 O13 H' _cell_length_a 8.8589 _cell_length_b 5.7017 _cell_length_c 10.1802 _cell_angle_alpha 90 _cell_angle_beta 115.540 _cell_angle_gamma 90 _cell_volume 463.964 _exptl_crystal_density_diffrn 3.504 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca1 0.75600 0.75000 0.15200 1.00000 Ca2 0.59500 0.75000 0.42100 1.00000 AlM1 0.00000 0.00000 0.00000 0.73000 MnM1 0.00000 0.00000 0.00000 0.27000 AlM2 0.00000 0.00000 0.50000 0.95000 MnM2 0.00000 0.00000 0.50000 0.05000 AlM3 0.30400 0.25000 0.22200 0.06000 MnM3 0.30400 0.25000 0.22200 0.94000 Si1 0.33800 0.75000 0.04000 1.00000 Si2 0.68700 0.25000 0.27200 1.00000 Si3 0.18600 0.75000 0.32000 1.00000 O1 0.23700 0.98200 0.02800 1.00000 O2 0.31300 0.97800 0.35200 1.00000 O3 0.79500 0.01900 0.33400 1.00000 O4 0.06200 0.25000 0.14000 1.00000 O5 0.04400 0.75000 0.15100 1.00000 O6 0.07700 0.75000 0.41400 1.00000 O7 0.51400 0.75000 0.18500 1.00000 O8 0.53000 0.25000 0.31200 1.00000 O9 0.60600 0.25000 0.09100 1.00000 O-H10 0.08500 0.25000 0.42100 1.00000