data_global
_chemical_name_mineral 'Magnesiotaaffeite-2N'2S'
loop_
_publ_author_name
'Yang Z'
'Ding K'
'De Fourestier J'
'Mao Q'
'Li H'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 50 
_journal_year 2012
_journal_page_first 21
_journal_page_last 29
_publ_section_title
;
 Ferrotaaffeite-2N'2S, a new mineral species, and the crystal structure of
 Fe2+-rich magnesiotaaffeite-2N'2S from the Xianghualing tin-polymetallic ore
 field, Hunan Province, China
;
_database_code_amcsd 0019041
_chemical_compound_source 'Xianghualing tin-polymetallic ore field, Hunan Province, China'
_chemical_formula_sum 'Be Fe.885 Mg1.73 Sn.063 Zn.322 Al8 O16'
_cell_length_a 5.6978
_cell_length_b 5.6978
_cell_length_c 18.373
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 516.565
_exptl_crystal_density_diffrn      3.863
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Be   0.33333  -0.33333   0.79400   1.00000   0.01400
FeM2   0.00000   0.00000   0.80080   0.59700   0.01540
MgM2   0.00000   0.00000   0.80080   0.40300   0.01540
MgT6   0.33333  -0.33333   0.53471   0.64900   0.00760
FeT6   0.33333  -0.33333   0.53471   0.28800   0.00760
SnT6   0.33333  -0.33333   0.53471   0.06300   0.00760
MgT7   0.00000   0.00000   0.59987   0.67800   0.00710
ZnT7   0.00000   0.00000   0.59987   0.32200   0.00710
AlM1   0.66740   0.83369   0.94034   1.00000   0.01060
AlT3   0.66667   0.33333   0.85070   1.00000   0.00840
AlM4   0.00150   0.50080   0.69539   1.00000   0.01000
AlM5   0.66667   0.33333   0.56890   1.00000   0.01020
O1   0.00000   0.00000   0.99160   1.00000   0.01360
O2   0.03960   0.51980   0.00230   1.00000   0.01360
O3   0.33333  -0.33333   0.88640   1.00000   0.01360
O4   0.83740   0.67480   0.88300   1.00000   0.01130
O5  -0.33333  -0.66667   0.75400   1.00000   0.00580
O6   0.62740   0.81370   0.75410   1.00000   0.01070
O7   0.33333   0.66667   0.63960   1.00000   0.01200
O8   0.81620   0.63240   0.63610   1.00000   0.01070
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
Be 0.01400 0.01400 0.01200 0.00700 0.00000 0.00000
FeM2 0.01500 0.01500 0.01640 0.00750 0.00000 0.00000
MgM2 0.01500 0.01500 0.01640 0.00750 0.00000 0.00000
MgT6 0.00830 0.00830 0.00600 0.00420 0.00000 0.00000
FeT6 0.00830 0.00830 0.00600 0.00420 0.00000 0.00000
SnT6 0.00830 0.00830 0.00600 0.00420 0.00000 0.00000
MgT7 0.00800 0.00800 0.00520 0.00400 0.00000 0.00000
ZnT7 0.00800 0.00800 0.00520 0.00400 0.00000 0.00000
AlM1 0.00950 0.01050 0.01140 0.00470 0.00050 0.00030
AlT3 0.01030 0.01030 0.00480 0.00510 0.00000 0.00000
AlM4 0.00940 0.00970 0.01100 0.00470 0.00070 0.00030
AlM5 0.00970 0.00970 0.01100 0.00480 0.00000 0.00000
O1 0.01000 0.01000 0.02100 0.00500 0.00000 0.00000
O2 0.01800 0.01110 0.01400 0.00920 -0.00420 -0.00210
O3 0.02000 0.02000 0.00000 0.01020 0.00000 0.00000
O4 0.01390 0.01400 0.00610 0.00700 -0.00080 -0.00160
O5 0.00600 0.00600 0.00500 0.00320 0.00000 0.00000
O6 0.01300 0.00980 0.01060 0.00640 0.00190 0.00100
O7 0.01400 0.01400 0.00900 0.00680 0.00000 0.00000
O8 0.01250 0.01700 0.00420 0.00850 0.00010 0.00020