data_global
_chemical_name_mineral 'Rhodonite'
loop_
_publ_author_name
'Nelson W R'
'Griffen D T'
_journal_name_full 'American Mineralogist'
_journal_volume 90 
_journal_year 2005
_journal_page_first 969
_journal_page_last 983
_publ_section_title
;
 Crystal chemistry of Zn-rich rhodonite ("fowlerite")
 Sample: 15-4030
 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite
 and rhodonite cation distributions
;
_database_code_amcsd 0003778
_chemical_formula_sum 'Mn5 Si5 O15'
_cell_length_a 9.8451
_cell_length_b 10.5389
_cell_length_c 12.2414
_cell_angle_alpha 108.692
_cell_angle_beta 103.299
_cell_angle_gamma 82.184
_cell_volume 1168.193
_exptl_crystal_density_diffrn      3.725
_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_U_iso_or_equiv
Mn1   0.00023   0.03036   0.14794   0.00760
Mn2   0.00154   0.12666   0.44508   0.00790
Mn3   0.01613   0.20466   0.72987   0.00780
Mn4   0.05931   0.26420   0.02365   0.01070
Mn5   0.99566   0.35591   0.30576   0.01310
Si1   0.20470   0.45070   0.91110   0.00680
Si2   0.21210   0.36720   0.65390   0.00610
Si3   0.21740   0.58020   0.52970   0.00620
Si4   0.21500   0.50680   0.26130   0.00620
Si5   0.20560   0.70130   0.12510   0.00660
OA1   0.12820   0.07060   0.04060   0.00930
OA2   0.12010   0.15760   0.32250   0.00870
OA3   0.11430   0.92230   0.43620   0.00840
OA4   0.11810   0.01320   0.73180   0.00950
OA5   0.13000   0.79060   0.85360   0.00910
OA6   0.09920   0.83260   0.13110   0.00920
OB1   0.12850   0.32260   0.90220   0.01080
OB2   0.12430   0.23650   0.61070   0.01110
OB3   0.13030   0.71180   0.58930   0.01320
OB4   0.12830   0.38100   0.18390   0.01270
OC1   0.16940   0.46950   0.77770   0.00910
OC2   0.15900   0.45910   0.56340   0.01150
OC3   0.16620   0.53820   0.38690   0.00980
OC4   0.15940   0.64150   0.22000   0.00940
OC5   0.14640   0.59330   0.99540   0.00880
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 0.00970 0.00690 0.00780 0.00350 0.00360 0.00010
Mn2 0.00940 0.00890 0.00670 0.00310 0.00300 -0.00020
Mn3 0.00980 0.00780 0.00710 0.00290 0.00380 0.00000
Mn4 0.01770 0.00840 0.00570 0.00280 0.00040 -0.00140
Mn5 0.01240 0.01540 0.01660 0.00940 0.00660 -0.00040
Si1 0.00750 0.00850 0.00510 0.00220 0.00250 -0.00050
Si2 0.00740 0.00640 0.00620 0.00290 0.00310 -0.00030
Si3 0.00720 0.00790 0.00420 0.00260 0.00200 0.00010
Si4 0.00710 0.00810 0.00460 0.00290 0.00190 -0.00050
Si5 0.00800 0.00760 0.00540 0.00280 0.00270 0.00030
OA1 0.00860 0.01190 0.00870 0.00450 0.00120 -0.00200
OA2 0.00740 0.01050 0.00840 0.00310 0.00170 -0.00020
OA3 0.00660 0.00940 0.01110 0.00510 0.00270 -0.00070
OA4 0.00770 0.01240 0.01140 0.00760 0.00250 -0.00020
OA5 0.00910 0.00940 0.00930 0.00350 0.00380 0.00230
OA6 0.00840 0.00700 0.01330 0.00420 0.00320 0.00080
OB1 0.01220 0.01140 0.01070 0.00490 0.00260 -0.00320
OB2 0.01500 0.01020 0.00880 0.00210 0.00280 -0.00470
OB3 0.01280 0.01120 0.01240 -0.00030 0.00410 0.00300
OB4 0.01520 0.01300 0.00850 0.00130 0.00140 -0.00320
OC1 0.01200 0.01200 0.00470 0.00300 0.00450 0.00030
OC2 0.01010 0.01810 0.01200 0.01160 0.00300 -0.00070
OC3 0.01020 0.01550 0.00590 0.00460 0.00380 -0.00110
OC4 0.00960 0.01180 0.01020 0.00750 0.00520 0.00330
OC5 0.01050 0.00940 0.00630 0.00170 0.00340 0.00130