data_global
_chemical_name_mineral 'Pumpellyite-(Al)'
loop_
_publ_author_name
'Hatert F'
'Pasero M'
'Perchiazzi N'
'Theye T'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 19 
_journal_year 2007
_journal_page_first 247
_journal_page_last 253
_publ_section_title
;
 Pumpellyite-(Al), a new mineral from Bertrix, Belgian Ardennes
;
_database_code_amcsd 0007217
_chemical_compound_source 'Bertrix, Ardennes mountains, Belgium'
_chemical_formula_sum 'Ca2 Al2.75 Fe.125 Mg.125 Si3 O14'
_cell_length_a 8.818
_cell_length_b 5.898
_cell_length_c 19.126
_cell_angle_alpha 90
_cell_angle_beta 97.26
_cell_angle_gamma 90
_cell_volume 986.741
_exptl_crystal_density_diffrn      3.181
_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
Ca1   0.25010   0.50000   0.33970   1.00000   0.04100
Ca2   0.19030   0.50000   0.15470   1.00000   0.04100
AlM1   0.50000   0.25000   0.25000   0.75000   0.03400
FeM1   0.50000   0.25000   0.25000   0.12500   0.03400
MgM1   0.50000   0.25000   0.25000   0.12500   0.03400
AlM2   0.25430   0.24850   0.49630   1.00000   0.02500
Si1   0.05560   0.00000   0.09340   1.00000   0.03400
Si2   0.17110   0.00000   0.24770   1.00000   0.03400
Si3   0.46270   0.00000   0.40420   1.00000   0.03400
O1   0.14150   0.22300   0.07030   1.00000   0.04700
O2   0.27930   0.22650   0.24520   1.00000   0.04700
O3   0.37010   0.22860   0.41710   1.00000   0.04700
O4   0.12430   0.50000   0.44080   1.00000   0.04700
O5   0.12560   0.00000   0.45900   1.00000   0.04700
O6   0.36620   0.50000   0.04780   1.00000   0.04700
O7   0.37060   0.00000   0.03150   1.00000   0.04700
O8   0.03890   0.00000   0.17760   1.00000   0.04700
O9   0.48300   0.50000   0.17550   1.00000   0.04700
O10   0.06580   0.00000   0.31290   1.00000   0.04700
O11   0.50970   0.50000   0.31880   1.00000   0.04700