data_global
_chemical_name_mineral 'Piemontite'
loop_
_publ_author_name
'Catti M'
'Ferraris G'
'Ivaldi G'
_journal_name_full 'American Mineralogist'
_journal_volume 73 
_journal_year 1988
_journal_page_first 1370
_journal_page_last 1376
_publ_section_title
;
 Thermal behavior of the crystal structure of strontian piemontite
 Sample: T = 800 C
;
_database_code_amcsd 0001203
_chemical_formula_sum 'Ca1.799 Sr.201 Al1.869 Mn.808 Fe.323 Si3 O13 H'
_cell_length_a 8.934
_cell_length_b 5.727
_cell_length_c 10.30
_cell_angle_alpha 90
_cell_angle_beta 115.26
_cell_angle_gamma 90
_cell_volume 476.608
_exptl_crystal_density_diffrn      3.455
_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   0.76050   0.75000   0.15500   1.00000
Ca2   0.59590   0.75000   0.42080   0.79900
Sr   0.59590   0.75000   0.42080   0.20100
Al1   0.00000   0.00000   0.00000   0.81000
Mn1   0.00000   0.00000   0.00000   0.13600
Fe1   0.00000   0.00000   0.00000   0.05400
Al2   0.00000   0.00000   0.50000   1.00000
Al3   0.29447   0.25000   0.22185   0.05900
Mn3   0.29447   0.25000   0.22185   0.67200
Fe3   0.29447   0.25000   0.22185   0.26900
Si1   0.33900   0.75000   0.04260   1.00000
Si2   0.68510   0.25000   0.27570   1.00000
Si3   0.18410   0.75000   0.31820   1.00000
O1   0.23370   0.98820   0.03580   1.00000
O2   0.30350   0.97800   0.35500   1.00000
O3   0.79490   0.01830   0.34110   1.00000
O4   0.05980   0.25000   0.12950   1.00000
O5   0.04330   0.75000   0.14710   1.00000
O6   0.06560   0.75000   0.40500   1.00000
O7   0.51170   0.75000   0.17390   1.00000
O8   0.52500   0.25000   0.30900   1.00000
O9   0.63010   0.25000   0.10310   1.00000
O-H10   0.08110   0.25000   0.43040   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
Ca1 0.03608 0.02836 0.02862 0.00000 0.02215 0.00000
Ca2 0.02811 0.04900 0.02202 0.00000 0.00988 0.00000
Sr 0.02811 0.04900 0.02202 0.00000 0.00988 0.00000
Al1 0.01415 0.01417 0.01670 -0.00164 0.00644 -0.00138
Mn1 0.01415 0.01417 0.01670 -0.00164 0.00644 -0.00138
Fe1 0.01415 0.01417 0.01670 -0.00164 0.00644 -0.00138
Al2 0.01455 0.01494 0.01846 -0.00075 0.00683 -0.00024
Al3 0.01214 0.02152 0.01934 0.00000 0.00633 0.00000
Mn3 0.01214 0.02152 0.01934 0.00000 0.00633 0.00000
Fe3 0.01214 0.02152 0.01934 0.00000 0.00633 0.00000
Si1 0.01455 0.01633 0.01495 0.00000 0.00759 0.00000
Si2 0.01290 0.01760 0.01495 0.00000 0.00683 0.00000
Si3 0.01290 0.01658 0.01455 0.00000 0.00759 0.00000
O1 0.02176 0.02659 0.03416 0.00391 0.01594 0.00505
O2 0.02381 0.02659 0.02532 -0.00656 0.01136 0.00024
O3 0.02011 0.01899 0.02532 0.00328 0.00301 -0.00024
O4 0.01644 0.02280 0.01517 0.00000 0.00683 0.00000
O5 0.01898 0.02659 0.01517 0.00000 0.00644 0.00000
O6 0.02404 0.02280 0.02405 0.00000 0.01773 0.00000
O7 0.01898 0.03925 0.02150 0.00000 0.00252 0.00000
O8 0.01644 0.05065 0.03416 0.00000 0.01659 0.00000
O9 0.05444 0.06332 0.01899 0.00000 0.02150 0.00000
O-H10 0.02404 0.01392 0.02532 0.00000 0.01643 0.00000