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: 15-4040
 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite
 and rhodonite cation distributions
;
_database_code_amcsd 0003788
_chemical_formula_sum 'Mn3 Zn Ca Si5 O15'
_cell_length_a 9.8719
_cell_length_b 10.5262
_cell_length_c 12.2214
_cell_angle_alpha 108.743
_cell_angle_beta 103.728
_cell_angle_gamma 82.049
_cell_volume 1165.605
_exptl_crystal_density_diffrn      3.708
_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  -0.00133   0.03117   0.14679   0.00600
Mn2   0.00086   0.12602   0.44416   0.00640
Mn3   0.01677   0.20416   0.72909   0.00620
Zn4   0.06627   0.26327   0.02146   0.00960
Ca5   0.99385   0.35827   0.30602   0.00960
Si1   0.20520   0.44940   0.91120   0.00470
Si2   0.21310   0.36650   0.65360   0.00420
Si3   0.21790   0.57970   0.52860   0.00440
Si4   0.21390   0.50590   0.25910   0.00480
Si5   0.20280   0.70060   0.12380   0.00510
OA1   0.12750   0.07260   0.04010   0.00790
OA2   0.11890   0.15820   0.32270   0.00660
OA3   0.11390   0.92320   0.43670   0.00730
OA4   0.11980   0.01370   0.73300   0.00700
OA5   0.13320   0.78990   0.85250   0.00790
OA6   0.09540   0.83210   0.12830   0.00850
OB1   0.13010   0.31910   0.90100   0.00900
OB2   0.12580   0.23600   0.61030   0.00830
OB3   0.13130   0.71220   0.58690   0.01030
OB4   0.12610   0.38060   0.18050   0.01030
OC1   0.17020   0.46810   0.77740   0.00720
OC2   0.15910   0.45950   0.56380   0.00790
OC3   0.16640   0.53520   0.38510   0.00850
OC4   0.15710   0.64280   0.22010   0.00710
OC5   0.14490   0.59020   0.99480   0.00790
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 0.00710 0.00550 0.00740 0.00420 0.00380 0.00230
Mn2 0.00740 0.00690 0.00690 0.00450 0.00350 0.00220
Mn3 0.00810 0.00580 0.00640 0.00340 0.00370 0.00190
Zn4 0.01670 0.00730 0.00530 0.00440 -0.00010 -0.00080
Ca5 0.00960 0.00980 0.01340 0.00730 0.00620 0.00140
Si1 0.00510 0.00580 0.00460 0.00340 0.00250 0.00180
Si2 0.00480 0.00470 0.00530 0.00440 0.00260 0.00160
Si3 0.00500 0.00570 0.00400 0.00360 0.00200 0.00200
Si4 0.00490 0.00650 0.00530 0.00490 0.00230 0.00190
Si5 0.00570 0.00560 0.00570 0.00430 0.00300 0.00290
OA1 0.00630 0.00990 0.00850 0.00460 0.00170 0.00160
OA2 0.00430 0.00800 0.00900 0.00510 0.00250 0.00270
OA3 0.00470 0.00740 0.00970 0.00400 0.00050 0.00150
OA4 0.00590 0.00740 0.01050 0.00650 0.00450 0.00400
OA5 0.00730 0.00900 0.00930 0.00550 0.00310 0.00160
OA6 0.01050 0.00470 0.01260 0.00580 0.00560 0.00500
OB1 0.01200 0.01010 0.00750 0.00420 0.00290 -0.00380
OB2 0.01040 0.00760 0.00850 0.00400 0.00170 -0.00240
OB3 0.00970 0.00900 0.01070 0.00150 0.00420 0.00400
OB4 0.01260 0.01050 0.00840 0.00200 0.00280 -0.00350
OC1 0.01060 0.00870 0.00390 0.00320 0.00430 0.00240
OC2 0.00860 0.01090 0.00850 0.00800 0.00340 0.00040
OC3 0.01000 0.01340 0.00390 0.00500 0.00280 0.00090
OC4 0.00780 0.00980 0.00710 0.00700 0.00420 0.00350
OC5 0.00970 0.00880 0.00490 0.00240 0.00250 0.00330