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 = 0.75, p = 0.75, Synthesis at P=350 MPa, T=500 C ; _database_code_amcsd 0003588 _chemical_formula_sum 'Ca2 (Al2.26 Mn.74) Si3 O13 H' _cell_length_a 8.8548 _cell_length_b 5.6541 _cell_length_c 10.1546 _cell_angle_alpha 90 _cell_angle_beta 115.514 _cell_angle_gamma 90 _cell_volume 458.820 _exptl_crystal_density_diffrn 3.439 _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 0.15400 1.00000 Ca2 0.60000 0.75000 0.42400 1.00000 AlM1 0.00000 0.00000 0.00000 0.87000 MnM1 0.00000 0.00000 0.00000 0.13000 AlM2 0.00000 0.00000 0.50000 0.97000 MnM2 0.00000 0.00000 0.50000 0.03000 AlM3 0.29800 0.25000 0.22200 0.42000 MnM3 0.29800 0.25000 0.22200 0.58000 Si1 0.33700 0.75000 0.04500 1.00000 Si2 0.68500 0.25000 0.27500 1.00000 Si3 0.18800 0.75000 0.31900 1.00000 O1 0.23100 0.99000 0.03400 1.00000 O2 0.30800 0.97900 0.35800 1.00000 O3 0.79400 0.01700 0.34200 1.00000 O4 0.05900 0.25000 0.13300 1.00000 O5 0.04400 0.75000 0.14900 1.00000 O6 0.06500 0.75000 0.40500 1.00000 O7 0.51500 0.75000 0.17300 1.00000 O8 0.52000 0.25000 0.30200 1.00000 O9 0.61900 0.25000 0.09700 1.00000 O-H10 0.08900 0.25000 0.42600 1.00000