data_global
_chemical_name_mineral 'Piemontite'
loop_
_publ_author_name
'Dollase W A'
_journal_name_full 'American Mineralogist'
_journal_volume 54 
_journal_year 1969
_journal_page_first 710
_journal_page_last 717
_publ_section_title
;
 Crystal structure and cation ordering of piemontite
;
_database_code_amcsd 0000191
_chemical_formula_sum 'Ca1.87 Sr.13 Si3 Al1.97 Mn.72 Fe.31 O13 H'
_cell_length_a 8.878
_cell_length_b 5.692
_cell_length_c 10.201
_cell_angle_alpha 90
_cell_angle_beta 115.40
_cell_angle_gamma 90
_cell_volume 465.663
_exptl_crystal_density_diffrn      3.492
_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
_atom_site_U_iso_or_equiv
Ca1   0.75740   0.75000   0.15330   1.00000   0.00975
Ca2   0.59790   0.75000   0.42500   0.87000   0.01026
Sr2   0.59790   0.75000   0.42500   0.13000   0.01026
Si1   0.34100   0.75000   0.04480   1.00000   0.00659
Si2   0.68460   0.25000   0.27450   1.00000   0.00646
Si3   0.18550   0.75000   0.31970   1.00000   0.00443
Al1   0.00000   0.00000   0.00000   0.80000   0.00595
Mn1   0.00000   0.00000   0.00000   0.14000   0.00595
Fe1   0.00000   0.00000   0.00000   0.06000   0.00595
Al2   0.00000   0.00000   0.50000   1.00000   0.00709
Mn3   0.29570   0.25000   0.22160   0.58000   0.00494
Fe3   0.29570   0.25000   0.22160   0.25000   0.00494
Al3   0.29570   0.25000   0.22160   0.17000   0.00494
O1   0.23300   0.99120   0.03560   1.00000   0.01026
O2   0.30580   0.97950   0.35500   1.00000   0.01013
O3   0.79630   0.01630   0.33780   1.00000   0.01026
O4   0.05880   0.25000   0.13180   1.00000   0.00747
O5   0.04240   0.75000   0.14730   1.00000   0.00887
O6   0.06860   0.75000   0.40910   1.00000   0.00785
O7   0.51450   0.75000   0.18050   1.00000   0.01013
O8   0.52760   0.25000   0.31400   1.00000   0.01165
O9   0.62080   0.25000   0.09860   1.00000   0.01254
O10   0.08680   0.25000   0.43300   1.00000   0.00760
H1   0.04000   0.25000   0.36000   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 0.01434 0.01067 0.01075 0.00000 0.00936 0.00000
Ca2 0.00945 0.01707 0.00602 0.00000 0.00187 0.00000
Sr2 0.00945 0.01707 0.00602 0.00000 0.00187 0.00000
Mn3 0.00293 0.00591 0.00602 0.00000 0.00150 0.00000
Fe3 0.00293 0.00591 0.00602 0.00000 0.00150 0.00000
Al3 0.00293 0.00591 0.00602 0.00000 0.00150 0.00000
O9 0.01857 0.02462 0.00989 0.00000 0.01123 0.00000