data_global
_chemical_name_mineral 'Pumpellyite-(Al)'
loop_
_publ_author_name
'Artioli G'
'Geiger C A'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 20 
_journal_year 1994
_journal_page_first 443
_journal_page_last 453
_publ_section_title
;
 The crystal chemistry of pumpellyite: An X-ray Rietveld
 refinement and 57Fe Mossbauer study
 Note: sample HR
;
_database_code_amcsd 0007759
_chemical_compound_source 'Hicks Ranch, California'
_chemical_formula_sum 'Si3 Al2.452 Fe.193 Mg.355 Ca2 O14 H4'
_cell_length_a 8.8193
_cell_length_b 5.9042
_cell_length_c 19.1138
_cell_angle_alpha 90
_cell_angle_beta 97.433
_cell_angle_gamma 90
_cell_volume 986.909
_exptl_crystal_density_diffrn      3.217
_symmetry_space_group_name_H-M 'A 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '-x,y,-z'
  '-x,1/2+y,1/2-z'
  'x,-y,z'
  'x,1/2-y,1/2+z'
  '-x,-y,-z'
  '-x,1/2-y,1/2-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
Si1   0.05380   0.00000   0.08940   1.00000   0.02100
Si2   0.16420   0.00000   0.24850   1.00000   0.02100
Si3   0.46900   0.00000   0.40130   1.00000   0.02100
AlX   0.50000   0.25000   0.25000   0.51200   0.02200
FeX   0.50000   0.25000   0.25000   0.13300   0.02200
MgX   0.50000   0.25000   0.25000   0.35500   0.02200
AlY   0.25190   0.24500   0.49590   0.97000   0.02200
FeY   0.25190   0.24500   0.49590   0.03000   0.02200
Ca1   0.25110   0.50000   0.33700   1.00000   0.01500
Ca2   0.19040   0.50000   0.15530   1.00000   0.01400
O1   0.13410   0.22900   0.07110   1.00000   0.01650
O2   0.26970   0.22200   0.24480   1.00000   0.01650
O3   0.37230   0.22800   0.41980   1.00000   0.01650
O4   0.12900   0.50000   0.44350   1.00000   0.01650
O-H5   0.13000   0.00000   0.45330   1.00000   0.01650
O6   0.36600   0.50000   0.04470   1.00000   0.01650
O-H7   0.37000   0.00000   0.03440   1.00000   0.01650
O8   0.03700   0.00000   0.17710   1.00000   0.01650
O9   0.48000   0.50000   0.17930   1.00000   0.01650
O-H10   0.06300   0.00000   0.31460   1.00000   0.01650
O-H11   0.50200   0.50000   0.31750   1.00000   0.01650