data_global
_chemical_name_mineral 'Serandite'
loop_
_publ_author_name
'Ohashi Y'
'Finger L W'
_journal_name_full 'American Mineralogist'
_journal_volume 63 
_journal_year 1978
_journal_page_first 274
_journal_page_last 288
_publ_section_title
;
 The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite,
 wollastonite, and the pectolite-schizolite-serandite series
 sample SRN, from Rouma, Island of Los, Guinea
;
_database_code_amcsd 0000623
_chemical_formula_sum 'Mn1.66 Ca.34 Na Si3 O9'
_cell_length_a 9.909
_cell_length_b 10.667
_cell_length_c 6.913
_cell_angle_alpha 99.10
_cell_angle_beta 100.51
_cell_angle_gamma 82.49
_cell_volume 705.483
_exptl_crystal_density_diffrn      3.352
_symmetry_space_group_name_H-M 'C -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'
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
Mn1   0.00520   0.64310   0.90620   0.66000   0.01013
Ca1   0.00520   0.64310   0.90620   0.34000   0.01013
Mn2   0.00820   0.64160   0.41580   1.00000   0.01216
Na3   0.04620   0.89770   0.24730   1.00000   0.02001
Si1   0.22160   0.06160   0.09630   1.00000   0.00798
Si2   0.22160   0.07210   0.54560   1.00000   0.00811
Si3   0.20170   0.84460   0.75970   1.00000   0.00811
Oa1   0.11570   0.44640   0.89010   1.00000   0.01140
Oa2   0.11320   0.44060   0.39690   1.00000   0.01203
Oa3   0.13460   0.68920   0.21330   1.00000   0.01127
Ob1   0.13360   0.18310   0.00160   1.00000   0.01343
Ob2   0.14300   0.19840   0.65160   1.00000   0.01178
Ob3   0.11130   0.72730   0.70110   1.00000   0.01254
Oc1   0.17250   0.06570   0.30900   1.00000   0.01115
Oc2   0.15810   0.94740   0.59590   1.00000   0.01165
Oc3   0.16230   0.93180   0.96760   1.00000   0.01254