data_global
_chemical_name_mineral 'Guidottiite'
loop_
_publ_author_name
'Wahle M W'
'Bujnowski T J'
'Guggenheim S'
'Kogure T'
_journal_name_full 'Clays and Clay Minerals'
_journal_volume 58 
_journal_year 2010
_journal_page_first 364
_journal_page_last 376
_publ_section_title
;
 Guidottiite, the Mn-analogue of cronstedtite: A new serpentine-group
 mineral from South Africa
;
_database_code_amcsd 0018323
_chemical_compound_source 'N'chwaning 2 mine, Kalahari manganese field, South Africa'
_chemical_formula_sum 'Mn1.854 Fe1.656 Mg.537 Si.953 O9 H4'
_cell_length_a 5.5472
_cell_length_b 5.5472
_cell_length_c 14.296
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 380.972
_exptl_crystal_density_diffrn      3.332
_symmetry_space_group_name_H-M 'P 63'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x-y,x,1/2+z'
  '-y,x-y,z'
  '-x,-y,1/2+z'
  '-x+y,-x,z'
  'y,-x+y,1/2+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
MnM1   0.66700  -0.00080   0.23750   0.61800   0.01390
Fe3+M1   0.66700  -0.00080   0.23750   0.20300   0.01390
MgM1   0.66700  -0.00080   0.23750   0.17900   0.01390
SiT1   0.00000   0.00000   0.03820   0.32200   0.00900
Fe3+T1   0.00000   0.00000   0.03820   0.67800   0.00900
SiT2   0.33333   0.66667   0.03660   0.63100   0.00950
Fe3+T2   0.33333   0.66667   0.03660   0.36900   0.00950
O1   0.19100   0.33200   0.00000   1.00000   0.01900
O4   0.00000   0.00000   0.15700   1.00000   0.00670
O5   0.33333   0.66667   0.15770   1.00000   0.00730
O-H1   0.66667   0.33333   0.15920   1.00000   0.00520
O-H2   0.33500   0.00100   0.30810   1.00000   0.00870
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
MnM1 0.01380 0.01380 0.01410 0.00700 0.00010 0.00030
Fe3+M1 0.01380 0.01380 0.01410 0.00700 0.00010 0.00030
MgM1 0.01380 0.01380 0.01410 0.00700 0.00010 0.00030
SiT1 0.00860 0.00860 0.00970 0.00430 0.00000 0.00000
Fe3+T1 0.00860 0.00860 0.00970 0.00430 0.00000 0.00000
SiT2 0.00880 0.00880 0.01100 0.00440 0.00000 0.00000
Fe3+T2 0.00880 0.00880 0.01100 0.00440 0.00000 0.00000
O4 0.00960 0.00960 0.00100 0.00480 0.00000 0.00000
O5 0.00740 0.00740 0.00700 0.00370 0.00000 0.00000
O-H1 0.00680 0.00680 0.00200 0.00340 0.00000 0.00000
O-H2 0.01000 0.01300 0.00200 0.00500 0.00200 0.00100