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 = 7.42 GPa
;
_database_code_amcsd 0004853
_chemical_compound_source 'Langban mine, Varmland, Sweden'
_chemical_formula_sum 'Sb3.96 Mg.12 Ca2.8 Mn1.12 O14'
_cell_length_a 7.170
_cell_length_b 7.170
_cell_length_c 17.406
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 774.940
_exptl_crystal_density_diffrn      5.675
_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   0.31910   0.00000   0.33333   1.00000   0.01500
SbB2   0.33130   0.00000   0.83333   0.96000   0.01600
MgB2   0.33130   0.00000   0.83333   0.04000   0.01600
SbB3   0.33640   0.49860   0.83400   0.96000   0.01140
MgB3   0.33640   0.49860   0.83400   0.04000   0.01140
CaA1   0.00000   0.84400   0.66667   0.92000   0.01800
MnA1   0.00000   0.84400   0.66667   0.08000   0.01800
MnA2   0.82700   0.00000   0.83333   0.92000   0.02600
SbA2   0.82700   0.00000   0.83333   0.08000   0.02600
CaA3   0.50000   0.34900   0.65900   0.94000   0.02500
MnA3   0.50000   0.34900   0.65900   0.06000   0.02500
O1   0.19900   0.20300   0.14500   1.00000   0.02300
O2   0.54500   0.60500   0.17200   1.00000   0.05000
O3   0.19700   0.63700   0.15100   1.00000   0.07000
O4  -0.04600   0.29300   0.04500   1.00000   0.02900
O5  -0.04400   0.79900   0.05400   1.00000   0.01700
O6   0.53400   0.40600   0.04200   1.00000   0.01100
O7   0.55900   0.81900   0.07400   1.00000   0.03100