data_global
_chemical_name_mineral 'Ingersonite'
loop_
_publ_author_name
'Zanazzi P F'
'Chelazzi L'
'Bonazzi P'
'Bindi L'
_journal_name_full 'American Mineralogist'
_journal_volume 94 
_journal_year 2009
_journal_page_first 352
_journal_page_last 358
_publ_section_title
;
 High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14:
 An in-situ single-crystal X-ray study
 Note: P = 2.25 GPa
;
_database_code_amcsd 0004849
_chemical_compound_source 'Langban mine, Varmland, Sweden'
_chemical_formula_sum 'Sb3.96 Mg.12 Ca2.8 Mn1.12 O14'
_cell_length_a 7.243
_cell_length_b 7.243
_cell_length_c 17.570
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 798.251
_exptl_crystal_density_diffrn      5.509
_symmetry_space_group_name_H-M 'P 31 2 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,x,-z'
  '-y,x-y,1/3+z'
  '-x,-x+y,1/3-z'
  '-x+y,-x,2/3+z'
  'x-y,-y,2/3-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
SbB1   0.31930   0.00000   0.33333   1.00000   0.01200
SbB2   0.32980   0.00000   0.83333   0.96000   0.01000
MgB2   0.32980   0.00000   0.83333   0.04000   0.01000
SbB3   0.33510   0.50020   0.83540   0.96000   0.00790
MgB3   0.33510   0.50020   0.83540   0.04000   0.00790
CaA1   0.00000   0.84200   0.66667   0.92000   0.01300
MnA1   0.00000   0.84200   0.66667   0.08000   0.01300
MnA2   0.82900   0.00000   0.83333   0.92000   0.02400
SbA2   0.82900   0.00000   0.83333   0.08000   0.02400
CaA3   0.49600   0.34570   0.66190   0.94000   0.01400
MnA3   0.49600   0.34570   0.66190   0.06000   0.01400
O1   0.19800   0.21000   0.14400   1.00000   0.03100
O2   0.56100   0.60900   0.19900   1.00000   0.01700
O3   0.19400   0.63600   0.16090   1.00000   0.03700
O4  -0.02800   0.31300   0.05600   1.00000   0.02400
O5  -0.05600   0.79800   0.06900   1.00000   0.03600
O6   0.53300   0.39900   0.04900   1.00000   0.00800
O7   0.54200   0.81500   0.07000   1.00000   0.02100