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 = 4.23 GPa
;
_database_code_amcsd 0004850
_chemical_compound_source 'Langban mine, Varmland, Sweden'
_chemical_formula_sum 'Sb3.96 Mg.12 Ca2.8 Mn1.12 O14'
_cell_length_a 7.218
_cell_length_b 7.218
_cell_length_c 17.510
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 790.043
_exptl_crystal_density_diffrn      5.566
_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   0.31850   1.00000   0.33333   1.00000   0.01600
SbB2   0.32710   0.00000   0.83333   0.96000   0.01300
MgB2   0.32710   0.00000   0.83333   0.04000   0.01300
SbB3   0.33620   0.50350   0.83510   0.96000   0.01400
MgB3   0.33620   0.50350   0.83510   0.04000   0.01400
CaA1   0.00000   0.83900   0.66667   0.92000   0.01400
MnA1   0.00000   0.83900   0.66667   0.08000   0.01400
MnA2   0.83400   0.00000   0.83333   0.92000   0.03000
SbA2   0.83400   0.00000   0.83333   0.08000   0.03000
CaA3   0.48700   0.34200   0.66200   0.94000   0.02300
MnA3   0.48700   0.34200   0.66200   0.06000   0.02300
O1   0.19900   0.22000   0.15100   1.00000   0.02700
O2   0.55300   0.60400   0.19700   1.00000   0.01900
O3   0.19100   0.63400   0.16400   1.00000   0.06000
O4  -0.03000   0.31700   0.05300   1.00000   0.02600
O5  -0.04800   0.79700   0.06500   1.00000   0.03300
O6   0.52700   0.40100   0.05300   1.00000   0.00800
O7   0.55300   0.82500   0.06500   1.00000   0.01800