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: 15-4020
 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite
 and rhodonite cation distributions
;
_database_code_amcsd 0003784
_chemical_formula_sum 'Mn3 Zn Ca Si5 O15'
_cell_length_a 9.8393
_cell_length_b 10.4941
_cell_length_c 12.1977
_cell_angle_alpha 108.751
_cell_angle_beta 103.751
_cell_angle_gamma 82.091
_cell_volume 1155.872
_exptl_crystal_density_diffrn      3.739
_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  -0.00166   0.03116   0.14652   0.00680
Mn2   0.00066   0.12629   0.44394   0.00690
Mn3   0.01659   0.20350   0.72902   0.00680
Zn4   0.06736   0.26305   0.02148   0.01000
Ca5   0.99327   0.35632   0.30409   0.01170
Si1   0.20478   0.44852   0.91125   0.00530
Si2   0.21313   0.36537   0.65353   0.00470
Si3   0.21691   0.57916   0.52866   0.00530
Si4   0.21294   0.50565   0.25923   0.00580
Si5   0.20221   0.70052   0.12350   0.00550
OA1   0.12720   0.07310   0.03940   0.00760
OA2   0.11830   0.15810   0.32200   0.00740
OA3   0.11380   0.92290   0.43640   0.00770
OA4   0.12040   0.01360   0.73310   0.00810
OA5   0.13310   0.79020   0.85300   0.00870
OA6   0.09530   0.83200   0.12770   0.00800
OB1   0.13000   0.31880   0.90180   0.00950
OB2   0.12620   0.23440   0.61020   0.00810
OB3   0.13010   0.71180   0.58800   0.01190
OB4   0.12380   0.37980   0.17990   0.01060
OC1   0.17000   0.46770   0.77770   0.00780
OC2   0.15990   0.45770   0.56340   0.01030
OC3   0.16470   0.53520   0.38520   0.00940
OC4   0.15610   0.64290   0.22030   0.00800
OC5   0.14540   0.58960   0.99510   0.00820
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 0.00840 0.00460 0.00740 0.00180 0.00240 0.00030
Mn2 0.00850 0.00580 0.00610 0.00180 0.00170 0.00010
Mn3 0.00880 0.00510 0.00660 0.00140 0.00270 0.00020
Zn4 0.01780 0.00560 0.00540 0.00180 -0.00100 -0.00240
Ca5 0.01090 0.01170 0.01630 0.00770 0.00560 -0.00010
Si1 0.00620 0.00420 0.00510 0.00090 0.00080 -0.00060
Si2 0.00600 0.00390 0.00490 0.00160 0.00170 -0.00040
Si3 0.00610 0.00490 0.00490 0.00170 0.00140 0.00030
Si4 0.00640 0.00540 0.00580 0.00240 0.00140 0.00050
Si5 0.00730 0.00390 0.00500 0.00080 0.00200 0.00090
OA1 0.00660 0.00810 0.00790 0.00310 0.00030 0.00030
OA2 0.00570 0.00750 0.00890 0.00230 0.00120 -0.00110
OA3 0.00710 0.00720 0.00770 0.00100 0.00030 -0.00230
OA4 0.00730 0.00740 0.01060 0.00390 0.00340 0.00180
OA5 0.00770 0.00670 0.01100 0.00220 0.00230 0.00100
OA6 0.00860 0.00410 0.01020 0.00190 0.00080 0.00080
OB1 0.01220 0.00770 0.00950 0.00260 0.00210 -0.00440
OB2 0.01110 0.00570 0.00710 0.00150 0.00110 -0.00220
OB3 0.01360 0.00880 0.00960 -0.00090 0.00310 0.00430
OB4 0.01270 0.00810 0.01000 0.00100 0.00150 -0.00330
OC1 0.01220 0.00730 0.00420 0.00140 0.00310 0.00050
OC2 0.00800 0.01430 0.01210 0.00970 0.00060 -0.00100
OC3 0.01110 0.01400 0.00400 0.00450 0.00120 -0.00060
OC4 0.00940 0.00800 0.00860 0.00540 0.00360 0.00350
OC5 0.00920 0.00720 0.00600 0.00000 0.00160 0.00150