data_global
_chemical_name_mineral 'Muscovite'
loop_
_publ_author_name
'Brigatti M F'
'Galli E'
'Medici L'
'Poppi L'
'Cibin G'
'Marcelli A'
'Mottana A'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 13 
_journal_year 2001
_journal_page_first 377
_journal_page_last 389
_publ_section_title
;
 Chromium-containing muscovite: crystal chemistry and XANES spectroscopy
;
_database_code_amcsd 0006858
_chemical_compound_source 'Westland'
_chemical_formula_sum 'O11.995 Cl.005 Si3.11 Al2.748 Ti.003 Fe.039 Cr.062 Mg.081 Ba.044 Na.103 K.857 H1.829'
_cell_length_a 5.192
_cell_length_b 9.011
_cell_length_c 20.028
_cell_angle_alpha 90
_cell_angle_beta 95.74
_cell_angle_gamma 90
_cell_volume 932.314
_exptl_crystal_density_diffrn      2.884
_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
_atom_site_U_iso_or_equiv
O11   0.75100   0.31060   0.15823   1.00000   0.01494
O21   0.25040   0.37070   0.16935   1.00000   0.01330
O22   0.41650   0.09310   0.16878   1.00000   0.01317
O31   0.38530   0.25180   0.05356   1.00000   0.00849
O32   0.96120   0.44360   0.05363   1.00000   0.00836
O4   0.95670   0.06260   0.05052   0.08300   0.00950
O-H4   0.95670   0.06260   0.05052   0.91450   0.00950
Cl4   0.95670   0.06260   0.05052   0.00250   0.00950
SiT1   0.45154   0.25856   0.13581   0.77750   0.00595
AlT1   0.45154   0.25856   0.13581   0.22250   0.00595
SiT2   0.96490   0.42970   0.13577   0.77750   0.00583
AlT2   0.96490   0.42970   0.13577   0.22250   0.00583
AlM1   0.75000   0.25000   0.00000   0.92900   0.00633
TiM1   0.75000   0.25000   0.00000   0.00150   0.00633
FeM1   0.75000   0.25000   0.00000   0.01950   0.00633
CrM1   0.75000   0.25000   0.00000   0.03100   0.00633
MgM1   0.75000   0.25000   0.00000   0.04050   0.00633
AlM2   0.24994   0.08338   0.00005   0.46450   0.00646
TiM2   0.24994   0.08338   0.00005   0.00070   0.00646
FeM2   0.24994   0.08338   0.00005   0.00980   0.00646
CrM2   0.24994   0.08338   0.00005   0.01550   0.00646
MgM2   0.24994   0.08338   0.00005   0.02020   0.00646
BaA   0.00000   0.09883   0.25000   0.04400   0.01950
NaA   0.00000   0.09883   0.25000   0.10300   0.01950
KA   0.00000   0.09883   0.25000   0.85700   0.01950
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
O11 0.01257 0.01769 0.01408 -0.00401 -0.00104 0.00364
O21 0.01217 0.01522 0.01207 0.00424 0.00000 -0.00182
O22 0.01812 0.00946 0.01207 0.00047 0.00261 0.00091
O31 0.00960 0.00658 0.01006 0.00024 0.00000 0.00000
O32 0.00757 0.00905 0.00805 0.00071 0.00104 0.00091
O4 0.00798 0.00987 0.01006 -0.00047 0.00209 -0.00273
O-H4 0.00798 0.00987 0.01006 -0.00047 0.00209 -0.00273
Cl4 0.00798 0.00987 0.01006 -0.00047 0.00209 -0.00273
SiT1 0.00514 0.00535 0.00805 0.00024 0.00000 0.00000
AlT1 0.00514 0.00535 0.00805 0.00024 0.00000 0.00000
SiT2 0.00541 0.00494 0.00805 0.00000 0.00052 0.00091
AlT2 0.00541 0.00494 0.00805 0.00000 0.00052 0.00091
AlM2 0.00554 0.00576 0.00805 -0.00024 0.00052 0.00000
TiM2 0.00554 0.00576 0.00805 -0.00024 0.00052 0.00000
FeM2 0.00554 0.00576 0.00805 -0.00024 0.00052 0.00000
CrM2 0.00554 0.00576 0.00805 -0.00024 0.00052 0.00000
MgM2 0.00554 0.00576 0.00805 -0.00024 0.00052 0.00000
BaA 0.02042 0.02016 0.01811 0.00000 0.00156 0.00000
NaA 0.02042 0.02016 0.01811 0.00000 0.00156 0.00000
KA 0.02042 0.02016 0.01811 0.00000 0.00156 0.00000