data_global
_chemical_name_mineral 'Cordierite'
loop_
_publ_author_name
'Sokol E V'
'Seryotkin Y V'
'Bul'bak T A'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 22 
_journal_year 2010
_journal_page_first 565
_journal_page_last 575
_publ_section_title
;
 Na-Li-Be-rich cordierite from the Murzinka pegmatite field, Middle Urals, Russia
;
_database_code_amcsd 0017555
_chemical_compound_source 'Murzinka pegmatite field, MIddle Ural Mountains, Russia'
_chemical_formula_sum 'Na.235 O18.646 Mn.02 Li.06 Fe.3 Mg1.66 Be.16 Al3.8 Si5 H1.292'
_cell_length_a 17.0046
_cell_length_b 9.73133
_cell_length_c 9.31989
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1542.231
_exptl_crystal_density_diffrn      2.619
_symmetry_space_group_name_H-M 'C c c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,-z'
  '-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_occupancy
_atom_site_U_iso_or_equiv
Na   0.00000   0.00000   0.00000   0.23500   0.02800
Wat   0.00000   0.00000   0.25000   0.64600   0.09800
MnM   0.33634   0.00000   0.25000   0.01000   0.00896
LiM   0.33634   0.00000   0.25000   0.03000   0.00896
FeM   0.33634   0.00000   0.25000   0.13000   0.00896
MgM   0.33634   0.00000   0.25000   0.83000   0.00896
FeT1   0.25000   0.25000   0.25013   0.02000   0.00804
BeT1   0.25000   0.25000   0.25013   0.08000   0.00804
AlT1   0.25000   0.25000   0.25013   0.90000   0.00804
SiT1   0.50000   0.00000   0.25000   1.00000   0.00641
AlT2   0.05067   0.30862   0.00000   1.00000   0.00613
SiT2   0.19207   0.07856   0.00000   1.00000   0.00603
SiT2   0.13576   0.23679   0.50000   1.00000   0.00602
O1   0.24647   0.10427   0.14143   1.00000   0.00960
O2   0.17344   0.30910   0.35836   1.00000   0.00970
O3   0.06214   0.41602   0.15108   1.00000   0.00940
O4   0.12035   0.18247   0.00000   1.00000   0.01460
O5   0.16398  -0.07867   0.00000   1.00000   0.01300
O6  -0.04327   0.24567   0.00000   1.00000   0.01380
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
Na 0.03100 0.01200 0.04100 0.00100 0.00000 0.00000
Wat 0.15100 0.08800 0.05500 0.00000 0.00000 0.00000
MnM 0.00730 0.00980 0.00980 0.00000 0.00000 0.00013
LiM 0.00730 0.00980 0.00980 0.00000 0.00000 0.00013
FeM 0.00730 0.00980 0.00980 0.00000 0.00000 0.00013
MgM 0.00730 0.00980 0.00980 0.00000 0.00000 0.00013
FeT1 0.00920 0.00740 0.00750 0.00105 0.00000 0.00000
BeT1 0.00920 0.00740 0.00750 0.00105 0.00000 0.00000
AlT1 0.00920 0.00740 0.00750 0.00105 0.00000 0.00000
SiT1 0.00630 0.00680 0.00610 0.00000 0.00000 0.00000
AlT2 0.00590 0.00620 0.00630 0.00057 0.00000 0.00000
SiT2 0.00590 0.00520 0.00690 0.00009 0.00000 0.00000
SiT2 0.00580 0.00570 0.00660 0.00062 0.00000 0.00000
O1 0.01200 0.00850 0.00840 0.00030 -0.00260 -0.00020
O2 0.00980 0.01050 0.00890 0.00150 0.00120 0.00190
O3 0.00800 0.01130 0.00890 0.00110 -0.00020 -0.00270
O4 0.01250 0.01150 0.01970 0.00600 0.00000 0.00000
O5 0.01350 0.00720 0.01820 -0.00350 0.00000 0.00000
O6 0.00640 0.01650 0.01860 -0.00120 0.00000 0.00000