data_global
_chemical_name_mineral 'Serandite'
loop_
_publ_author_name
'Takeuchi Y'
'Kudoh Y'
'Haga N'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 138 
_journal_year 1973
_journal_page_first 313
_journal_page_last 336
_publ_section_title
;
 The interpretation of partial Patterson functions and its application
 to structure analyses of serandite Mn2NaHSi3O9 and banalsite BaNa2Al4Si4O16
;
_database_code_amcsd 0010758
_chemical_compound_source 'Tanohata mine, Japan'
_chemical_formula_sum 'Mn2 Na Si3 O9 H'
_cell_length_a 7.683
_cell_length_b 6.889
_cell_length_c 6.747
_cell_angle_alpha 90.53
_cell_angle_beta 94.12
_cell_angle_gamma 102.75
_cell_volume 347.285
_exptl_crystal_density_diffrn      3.463
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn1   0.85270   0.59430   0.13630
Mn2   0.84960   0.08400   0.13320
Na1   0.55730   0.25470   0.35180
Si1   0.21660   0.40250   0.34140
Si2   0.20710   0.95260   0.35060
Si3   0.45450   0.73880   0.14300
O1   0.66410   0.79530   0.11470
O2   0.32360   0.70970   0.94310
O-H3   0.18090   0.49540   0.55330
O4   0.15990   0.84570   0.55670
O5   0.06090   0.39050   0.16840
O6   0.05300   0.89320   0.17270
O7   0.40770   0.53320   0.27380
O8   0.39730   0.90520   0.28790
O9   0.26130   0.19000   0.39280
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
Mn1 0.00792 0.00686 0.00596 0.00153 0.00127 0.00069
Mn2 0.00622 0.00663 0.00481 0.00229 0.00076 -0.00023
Na1 0.01075 0.01966 0.01444 0.00254 0.00255 -0.00046
Si1 0.00537 0.00343 0.00436 0.00153 -0.00076 -0.00046
Si2 0.00537 0.00411 0.00344 0.00178 0.00025 -0.00046
Si3 0.00368 0.00549 0.00344 0.00076 0.00051 0.00046
O1 0.00622 0.00960 0.01032 0.00178 0.00357 0.00114
O2 0.00764 0.00983 0.00688 0.00127 -0.00051 -0.00069
O-H3 0.01612 0.00846 0.00780 0.00737 0.00229 -0.00046
O4 0.01556 0.00731 0.00757 0.00305 0.00357 0.00000
O5 0.00707 0.01097 0.00481 0.00153 -0.00051 0.00069
O6 0.00764 0.01051 0.00665 0.00331 -0.00153 -0.00160
O7 0.00764 0.00869 0.00848 0.00203 0.00000 0.00412
O8 0.00679 0.00800 0.01101 0.00331 -0.00025 -0.00412
O9 0.01075 0.00594 0.00940 0.00203 0.00025 0.00046