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: 15-4028
 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite
 and rhodonite cation distributions
;
_database_code_amcsd 0003786
_chemical_formula_sum 'Mn3 Zn Ca Si5 O15'
_cell_length_a 9.8640
_cell_length_b 10.5237
_cell_length_c 12.2180
_cell_angle_alpha 108.727
_cell_angle_beta 103.705
_cell_angle_gamma 82.082
_cell_volume 1164.330
_exptl_crystal_density_diffrn      3.712
_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  -0.00128   0.03111   0.14683   0.00660
Mn2   0.00093   0.12617   0.44421   0.00660
Mn3   0.01673   0.20418   0.72918   0.00660
Zn4   0.06598   0.26339   0.02164   0.01020
Ca5   0.99395   0.35807   0.30592   0.01020
Si1   0.20500   0.44935   0.91108   0.00510
Si2   0.21304   0.36632   0.65348   0.00470
Si3   0.21770   0.57982   0.52867   0.00470
Si4   0.21395   0.50607   0.25940   0.00540
Si5   0.20285   0.70063   0.12388   0.00540
OA1   0.12700   0.07220   0.03970   0.00750
OA2   0.11880   0.15770   0.32250   0.00740
OA3   0.11350   0.92300   0.43650   0.00760
OA4   0.11940   0.01310   0.73250   0.00780
OA5   0.13290   0.79010   0.85290   0.00780
OA6   0.09570   0.83200   0.12840   0.00880
OB1   0.12980   0.32000   0.90150   0.00920
OB2   0.12540   0.23600   0.61020   0.00800
OB3   0.13100   0.71220   0.58720   0.01040
OB4   0.12580   0.38070   0.18040   0.01020
OC1   0.17060   0.46860   0.77770   0.00750
OC2   0.15970   0.45920   0.56350   0.00930
OC3   0.16620   0.53540   0.38550   0.00920
OC4   0.15710   0.64230   0.22030   0.00780
OC5   0.14570   0.59070   0.99514   0.00810
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 0.00560 0.00670 0.00800 0.00240 0.00260 0.00000
Mn2 0.00560 0.00790 0.00690 0.00240 0.00220 -0.00010
Mn3 0.00610 0.00730 0.00680 0.00160 0.00270 -0.00030
Zn4 0.01520 0.00830 0.00610 0.00200 -0.00080 -0.00280
Ca5 0.00780 0.01140 0.01450 0.00620 0.00530 -0.00050
Si1 0.00370 0.00670 0.00440 0.00100 0.00100 -0.00080
Si2 0.00360 0.00620 0.00490 0.00220 0.00170 -0.00030
Si3 0.00310 0.00690 0.00440 0.00170 0.00140 -0.00010
Si4 0.00360 0.00780 0.00540 0.00260 0.00150 0.00000
Si5 0.00430 0.00630 0.00600 0.00190 0.00220 0.00080
OA1 0.00370 0.01010 0.00850 0.00240 0.00160 0.00010
OA2 0.00200 0.01080 0.01010 0.00380 0.00220 0.00000
OA3 0.00450 0.00970 0.00840 0.00270 0.00070 -0.00110
OA4 0.00390 0.00980 0.01120 0.00440 0.00270 0.00030
OA5 0.00500 0.00890 0.00900 0.00160 0.00220 -0.00060
OA6 0.00820 0.00700 0.01220 0.00380 0.00400 0.00150
OB1 0.00970 0.00930 0.00940 0.00240 0.00260 -0.00360
OB2 0.00810 0.00820 0.00780 0.00200 0.00080 -0.00390
OB3 0.00860 0.00960 0.01170 0.00170 0.00320 0.00230
OB4 0.00820 0.01180 0.00940 0.00070 0.00170 -0.00380
OC1 0.00780 0.00910 0.00610 0.00180 0.00370 0.00110
OC2 0.00760 0.01360 0.01000 0.00740 0.00200 -0.00190
OC3 0.00850 0.01530 0.00460 0.00310 0.00190 -0.00200
OC4 0.00760 0.01020 0.00810 0.00580 0.00300 0.00130
OC5 0.00640 0.00970 0.00570 -0.00090 0.00140 0.00010