data_global
_chemical_name_mineral 'Manganocummingtonite'
loop_
_publ_author_name
'Hawthorne F C'
'Grundy H D'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 15 
_journal_year 1977
_journal_page_first 309
_journal_page_last 320
_publ_section_title
;
 The crystal structure and site-chemistry of a zincian tirodite
 by least-squares refinement of X-ray and mossbauer data
;
_database_code_amcsd 0005138
_chemical_formula_sum 'Si7.872 Al.088 Fe.5 Mg3.7 Zn.749 Mn1.599 Ca.28 Na.21 O24 H2'
_cell_length_a 9.606
_cell_length_b 18.126
_cell_length_c 5.317
_cell_angle_alpha 90
_cell_angle_beta 102.63
_cell_angle_gamma 90
_cell_volume 903.385
_exptl_crystal_density_diffrn      3.236
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-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
SiT1   0.28640   0.08426   0.27840   0.97800   0.00735
AlT1   0.28640   0.08426   0.27840   0.02200   0.00735
SiT2   0.29550   0.16977   0.78530   0.99000   0.00760
FeT2   0.29550   0.16977   0.78530   0.01000   0.00760
MgM1   0.00000   0.08711   0.50000   0.70800   0.00887
ZnM1   0.00000   0.08711   0.50000   0.25200   0.00887
MnM1   0.00000   0.08711   0.50000   0.03900   0.00887
MgM2   0.00000   0.17744   0.00000   0.78100   0.00912
FeM2   0.00000   0.17744   0.00000   0.18500   0.00912
ZnM2   0.00000   0.17744   0.00000   0.03400   0.00912
MgM3   0.00000   0.00000   0.00000   0.72200   0.00925
ZnM3   0.00000   0.00000   0.00000   0.17700   0.00925
MnM3   0.00000   0.00000   0.00000   0.10100   0.00925
MnM4   0.00000   0.26251   0.50000   0.71000   0.01165
CaM4   0.00000   0.26251   0.50000   0.14000   0.01165
NaM4   0.00000   0.26251   0.50000   0.10500   0.01165
FeM4   0.00000   0.26251   0.50000   0.04500   0.01165
O1   0.11380   0.08640   0.21160   1.00000   0.00811
O2   0.12240   0.17230   0.71980   1.00000   0.00937
O-H3   0.11300   0.00000   0.71040   1.00000   0.00912
O4   0.37510   0.24690   0.77670   1.00000   0.01241
O5   0.35010   0.13070   0.06730   1.00000   0.01267
O6   0.34920   0.12040   0.56160   1.00000   0.01381
O7   0.34390   0.00000   0.27870   1.00000   0.01406