data_global
_chemical_name_mineral 'Babingtonite'
loop_
_publ_author_name
'Armbruster T'
_journal_name_full 'Schweizerische Mineralogische und Petrographische Mitteilungen'
_journal_volume 80 
_journal_year 2000
_journal_page_first 279
_journal_page_last 284
_publ_section_title
;
 Cation distribution in Mg, Mn-bearing babingtonite from Arvigo,
 Val Calanca, Grisons, Switzerland
 Note: Sample NMBE 34974
;
_database_code_amcsd 0018475
_chemical_compound_source 'Arvigo, Val Calanca, Grisons, Switzerland'
_chemical_formula_sum 'Ca2 Fe1.366 Mn.26 Mg.344 Al.03 Si5 H O15'
_cell_length_a 7.480
_cell_length_b 12.159
_cell_length_c 6.678
_cell_angle_alpha 86.10
_cell_angle_beta 93.92
_cell_angle_gamma 112.08
_cell_volume 560.911
_exptl_crystal_density_diffrn      3.324
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,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
Cal   0.15700   0.94142   0.85701   1.00000   0.01520
Ca2   0.28326   0.52021   0.69645   1.00000   0.01216
Fe1   0.05046   0.64393   0.93885   0.52500   0.00963
Mn1   0.05046   0.64393   0.93885   0.26000   0.00963
Mg1   0.05046   0.64393   0.93885   0.21500   0.00963
Fe2   0.18873   0.23571   0.81487   0.84100   0.00833
Mg2   0.18873   0.23571   0.81487   0.12900   0.00833
Al2   0.18873   0.23571   0.81487   0.03000   0.00833
Si1   0.76670   0.05336   0.65930   1.00000   0.01013
Si2   0.85350   0.31377   0.57500   1.00000   0.00874
Si3   0.63850   0.44492   0.79030   1.00000   0.00798
Si4   0.72600   0.71363   0.69060   1.00000   0.00887
Si5   0.50780   0.83622   0.89340   1.00000   0.01001
H1   0.78600   0.92800   0.47200   1.00000   0.04939
O1   0.78930   0.98780   0.46540   1.00000   0.01621
O2   0.95130   0.07980   0.81580   1.00000   0.01267
O3   0.73840   0.17110   0.56480   1.00000   0.01229
O4   0.02150   0.33920   0.75360   1.00000   0.01115
O5   0.07110   0.62100   0.63520   1.00000   0.01191
O6   0.69230   0.37040   0.62600   1.00000   0.01153
O7   0.41550   0.38460   0.84190   1.00000   0.01178
O8   0.79580   0.47370   0.97400   1.00000   0.01127
O9   0.64350   0.56890   0.66270   1.00000   0.01026
Ol0   0.88320   0.75480   0.87600   1.00000   0.01191
O11   0.20000   0.22090   0.52030   1.00000   0.01279
O12   0.53300   0.73740   0.75050   1.00000   0.01165
O13   0.28890   0.79990   0.94410   1.00000   0.01393
O14   0.33860   0.14230   0.91600   1.00000   0.01507
O15   0.57470   0.96760   0.77530   1.00000   0.01381