data_global
_chemical_name_mineral 'Tienshanite'
loop_
_publ_author_name
'Cooper M A'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 36 
_journal_year 1998
_journal_page_first 1305
_journal_page_last 1310
_publ_section_title
;
 Refinement of the crystal structure of tienshanite: short-range-order
 constraints on chemical composition
;
_database_code_amcsd 0005580
_chemical_formula_sum 'Ba6 Ti12 Mn6 Ca2 K Na12 Si36 B12 O123 F2'
_cell_length_a 16.785
_cell_length_b 16.785
_cell_length_c 10.454
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 2550.679
_exptl_crystal_density_diffrn      3.431
_symmetry_space_group_name_H-M 'P 6/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,-z'
  'x-y,x,z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,-z'
  '-x,-y,z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,-z'
  'y,-x+y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ba   0.18579   0.50676   0.00000   0.01360
Ti1   0.34879   0.41959   0.00000   0.00410
Ti2   0.37460   0.43420   0.00000   0.00410
Mn   0.13608   0.22088   0.00000 ?
Ca   0.33333   0.66667   0.50000 ?
K   0.00000   0.00000   0.50000 ?
Na1   0.51800   0.50000   0.50000   0.01640
Na2   0.18750   0.34190   0.50000 ?
Si1   0.32540   0.50460   0.27216 ?
Si2   0.36326   0.34795   0.28635 ?
Si3   0.19159   0.16323   0.28020 ?
B   0.17630   0.51250   0.37280 ?
O1   0.50000   0.50000   0.00000 ?
O2   0.37180   0.35130   0.13320 ?
O3   0.04450   0.28900   0.33810 ?
O4   0.36110   0.51470   0.12670 ?
O5   0.32480   0.41500   0.33810 ?
O6   0.07700   0.45980   0.35820 ?
O7   0.22750   0.35860   0.00000 ?
O8   0.18770   0.16050   0.12870 ?
O9   0.20790   0.61260   0.35760 ?
O10   0.22010   0.48500   0.27310 ?
O11   0.50110   0.29310   0.50000 ?
O12   0.17850   0.06810   0.34310 ?
F   0.33333   0.66667   0.00000 ?
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
Ba 0.01570 0.01310 0.01130 0.00680 0.00000 0.00000
Mn 0.01000 0.01160 0.00870 0.00620 0.00000 0.00000
Ca 0.00560 0.00560 0.00490 0.00280 0.00000 0.00000
K 0.02370 0.02370 0.02220 0.01180 0.00000 0.00000
Na2 0.01760 0.02340 0.01940 0.00520 0.00000 0.00000
Si1 0.00650 0.00660 0.00590 0.00360 -0.00040 -0.00090
Si2 0.00730 0.00680 0.00760 0.00420 -0.00080 0.00020
Si3 0.00810 0.00720 0.00830 0.00440 -0.00020 0.00000
B 0.00630 0.00650 0.00480 0.00250 0.00030 -0.00010
O1 0.00710 0.01130 0.02480 0.00180 0.00000 0.00000
O2 0.01680 0.01160 0.00640 0.00950 -0.00070 0.00010
O3 0.01440 0.01020 0.01320 0.00750 -0.00210 -0.00120
O4 0.01450 0.01010 0.00730 0.00680 0.00150 -0.00060
O5 0.01590 0.01310 0.00910 0.01140 0.00200 0.00200
O6 0.00730 0.00900 0.01120 0.00370 -0.00040 -0.00260
O7 0.01060 0.01610 0.02230 0.00670 0.00000 0.00000
O8 0.01560 0.01450 0.00870 0.00960 -0.00010 -0.00050
O9 0.01110 0.00510 0.01060 0.00320 -0.00290 0.00040
O10 0.00650 0.01250 0.00790 0.00530 -0.00060 -0.00270
O11 0.00990 0.00810 0.00470 0.00480 0.00000 0.00000
O12 0.01980 0.00990 0.01180 0.00830 -0.00070 -0.00050
F 0.01350 0.01350 0.03900 0.00670 0.00000 0.00000