data_global
_chemical_name_mineral 'Pumpellyite-(Fe2+)'
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 BU
;
_database_code_amcsd 0007761
_chemical_compound_source 'Torrente Bulla, Italy'
_chemical_formula_sum 'Si3 Al1.837 Fe.841 Mg.322 Ca2 O14 H4'
_cell_length_a 8.8375
_cell_length_b 5.9520
_cell_length_c 19.1812
_cell_angle_alpha 90
_cell_angle_beta 97.461
_cell_angle_gamma 90
_cell_volume 1000.404
_exptl_crystal_density_diffrn      3.298
_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   0.04750   0.00000   0.09050   1.00000   0.01900
Si2   0.16460   0.00000   0.24950   1.00000   0.01900
Si3   0.46450   0.00000   0.40070   1.00000   0.01900
AlX   0.50000   0.25000   0.25000   0.42500   0.02900
FeX   0.50000   0.25000   0.25000   0.25300   0.02900
MgX   0.50000   0.25000   0.25000   0.32200   0.02900
AlY   0.25240   0.24600   0.49490   0.70600   0.02900
FeY   0.25240   0.24600   0.49490   0.29400   0.02900
Ca1   0.24940   0.50000   0.33750   1.00000   0.02300
Ca2   0.19030   0.50000   0.15500   1.00000   0.02400
O1   0.13430   0.22700   0.07280   1.00000   0.01960
O2   0.26090   0.23100   0.24720   1.00000   0.01960
O3   0.36630   0.22800   0.41790   1.00000   0.01960
O4   0.13400   0.50000   0.44610   1.00000   0.01960
O-H5   0.13000   0.00000   0.45790   1.00000   0.01960
O6   0.37000   0.50000   0.04480   1.00000   0.01960
O-H7   0.37800   0.00000   0.03690   1.00000   0.01960
O8   0.04200   0.00000   0.18010   1.00000   0.01960
O9   0.48000   0.50000   0.17800   1.00000   0.01960
O-H10   0.07400   0.00000   0.32000   1.00000   0.01960
O-H11   0.51100   0.50000   0.31620   1.00000   0.01960