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 = 5.41 GPa
;
_database_code_amcsd 0004851
_chemical_compound_source 'Langban mine, Varmland, Sweden'
_chemical_formula_sum 'Sb3.96 Mg.12 Ca2.8 Mn1.12 O14'
_cell_length_a 7.204
_cell_length_b 7.204
_cell_length_c 17.450
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 784.284
_exptl_crystal_density_diffrn      5.607
_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   0.31700   0.00000   0.33333   1.00000   0.01800
SbB2   0.32790   0.00000   0.83333   0.96000   0.01420
MgB2   0.32790   0.00000   0.83333   0.04000   0.01420
SbB3   0.33680   0.50060   0.83600   0.96000   0.01320
MgB3   0.33680   0.50060   0.83600   0.04000   0.01320
CaA1   0.00000   0.83200   0.66667   0.92000   0.00700
MnA1   0.00000   0.83200   0.66667   0.08000   0.00700
MnA2   0.82900   0.00000   0.83333   0.92000   0.01900
SbA2   0.82900   0.00000   0.83333   0.08000   0.01900
CaA3   0.48700   0.34400   0.66520   0.94000   0.01000
MnA3   0.48700   0.34400   0.66520   0.06000   0.01000
O1   0.20100   0.21200   0.15100   1.00000   0.01200
O2   0.56500   0.60500   0.19300   1.00000   0.03400
O3   0.18800   0.62800   0.16100   1.00000   0.02700
O4  -0.02400   0.32200   0.04800   1.00000   0.03700
O5  -0.04400   0.81100   0.06200   1.00000   0.03000
O6   0.54000   0.39900   0.04100   1.00000   0.00500
O7   0.53700   0.80100   0.06800   1.00000   0.03100