data_global
_chemical_name_mineral 'Muscovite-2M1'
loop_
_publ_author_name
'Brigatti M F'
'Frigieri P'
'Poppi L'
_journal_name_full 'American Mineralogist'
_journal_volume 83 
_journal_year 1998
_journal_page_first 775
_journal_page_last 785
_publ_section_title
;
 Crystal chemistry of Mg-, Fe-bearing muscovites-2M1
 Sample GFS15Ab from peraluminous granites at Sardinia, Italy
;
_database_code_amcsd 0002016
_chemical_formula_sum '(K.92 Na.08) Si3.04 Al2.83 Ti.02 Fe.06 Mg.08 H.32 O12'
_cell_length_a 5.192
_cell_length_b 9.013
_cell_length_c 20.056
_cell_angle_alpha 90
_cell_angle_beta 95.83
_cell_angle_gamma 90
_cell_volume 933.676
_exptl_crystal_density_diffrn      2.832
_symmetry_space_group_name_H-M 'C 1 2/c 1'
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,-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
K   0.00000   0.09860   0.25000   0.92000
Na   0.00000   0.09860   0.25000   0.08000
Si1   0.45170   0.25880   0.13549   0.76000
Al1   0.45170   0.25880   0.13549   0.24000
Si2   0.96480   0.42995   0.13538   0.76000
Al2   0.96480   0.42995   0.13538   0.24000
Ti2   0.24990   0.08307   0.00004   0.01000
Fe2   0.24990   0.08307   0.00004   0.03000
Mg2   0.24990   0.08307   0.00004   0.04000
Al2   0.24990   0.08307   0.00004   0.92000
Al1   0.75000   0.25000   0.00000   0.03000
H   0.87200   0.15300   0.05500   0.16000
O11   0.74990   0.31090   0.15740   1.00000
O21   0.24850   0.37010   0.16860   1.00000
O22   0.41710   0.09350   0.16810   1.00000
O31   0.38410   0.25130   0.05340   1.00000
O32   0.96100   0.44320   0.05337   1.00000
O4   0.95570   0.06200   0.05007   0.99000
O4   0.95570   0.06200   0.05007   0.01000
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
K 0.02879 0.02716 0.02924 0.00000 0.00454 0.00000
Na 0.02879 0.02716 0.02924 0.00000 0.00454 0.00000
Si1 0.01135 0.01444 0.01835 0.00000 0.00350 0.00027
Al1 0.01135 0.01444 0.01835 0.00000 0.00350 0.00027
Si2 0.01203 0.01152 0.01855 -0.00071 0.00428 0.00027
Al2 0.01203 0.01152 0.01855 -0.00071 0.00428 0.00027
Ti2 0.01379 0.01543 0.01876 -0.00165 0.00376 0.00018
Fe2 0.01379 0.01543 0.01876 -0.00165 0.00376 0.00018
Mg2 0.01379 0.01543 0.01876 -0.00165 0.00376 0.00018
Al2 0.01379 0.01543 0.01876 -0.00165 0.00376 0.00018
O11 0.01703 0.02716 0.02420 -0.00613 0.00313 0.00483
O21 0.02311 0.02222 0.02057 0.00307 0.00261 -0.00128
O22 0.02473 0.01852 0.02178 0.00000 0.00522 0.00046
O31 0.01906 0.01852 0.00403 0.00024 0.00261 -0.00018
O32 0.01635 0.01564 0.01835 0.00094 0.00313 0.00073
O4 0.01744 0.01975 0.02118 -0.00236 0.00522 -0.00173
O4 0.01744 0.01975 0.02118 -0.00236 0.00522 -0.00173