data_global
_chemical_name_mineral 'Pumpellyite-(Mg)'
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 K1
;
_database_code_amcsd 0007760
_chemical_compound_source 'Keweenawan, Michigan'
_chemical_formula_sum 'Si3 Al2.272 Fe.358 Mg.373 Ca2 O14 H4'
_cell_length_a 8.8192
_cell_length_b 5.9192
_cell_length_c 19.1274
_cell_angle_alpha 90
_cell_angle_beta 97.446
_cell_angle_gamma 90
_cell_volume 990.080
_exptl_crystal_density_diffrn      3.239
_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   0.05080   0.00000   0.09090   1.00000   0.00800
Si2   0.16720   0.00000   0.24890   1.00000   0.00800
Si3   0.46450   0.00000   0.40140   1.00000   0.00800
AlX   0.50000   0.25000   0.25000   0.50000   0.02300
FeX   0.50000   0.25000   0.25000   0.13000   0.02300
MgX   0.50000   0.25000   0.25000   0.37300   0.02300
AlY   0.25410   0.24200   0.49760   0.88600   0.02300
FeY   0.25410   0.24200   0.49760   0.11400   0.02300
Ca1   0.24740   0.50000   0.33880   1.00000   0.01500
Ca2   0.18780   0.50000   0.15540   1.00000   0.01400
O1   0.13350   0.22400   0.07210   1.00000   0.01040
O2   0.26790   0.22500   0.24170   1.00000   0.01040
O3   0.37360   0.22000   0.41680   1.00000   0.01040
O4   0.13600   0.50000   0.44530   1.00000   0.01040
O-H5   0.12800   0.00000   0.45680   1.00000   0.01040
O6   0.36800   0.50000   0.04580   1.00000   0.01040
O-H7   0.37000   0.00000   0.03680   1.00000   0.01040
O8   0.03500   0.00000   0.17300   1.00000   0.01040
O9   0.48500   0.50000   0.17720   1.00000   0.01040
O-H10   0.07000   0.00000   0.31350   1.00000   0.01040
O-H11   0.50100   0.50000   0.31220   1.00000   0.01040