data_global
_chemical_name_mineral 'Muscovite'
loop_
_publ_author_name
'Knurr R A'
'Bailey S W'
_journal_name_full 'Clays and Clay Minerals'
_journal_volume 34 
_journal_year 1986
_journal_page_first 7
_journal_page_last 16
_publ_section_title
;
 Refinement of Mn-substituted muscovite and phlogopite
 Sample: alurgite, type 2M1
;
_database_code_amcsd 0019597
_chemical_compound_source 'Minas Gerais, Brazil'
_chemical_formula_sum 'K.93 Na.05 Ba.01 Al2.68 Mg.1 Fe.14 Mn.02 Ti.02 Si3.04 O12 H2'
_cell_length_a 5.2044
_cell_length_b 9.018
_cell_length_c 20.073
_cell_angle_alpha 90
_cell_angle_beta 95.82
_cell_angle_gamma 90
_cell_volume 937.236
_exptl_crystal_density_diffrn      2.855
_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
K   0.00000   0.09880   0.25000   0.93000   0.02400
Na   0.00000   0.09880   0.25000   0.05000   0.02400
Ba   0.00000   0.09880   0.25000   0.01000   0.02400
AlM2   0.24980   0.08320   0.00004   0.86000   0.00698
MgM2   0.24980   0.08320   0.00004   0.05000   0.00698
FeM2   0.24980   0.08320   0.00004   0.07000   0.00698
MnM2   0.24980   0.08320   0.00004   0.01000   0.00698
TiM2   0.24980   0.08320   0.00004   0.01000   0.00698
SiT1   0.46500   0.92992   0.13554   0.76000   0.00846
AlT1   0.46500   0.92992   0.13554   0.24000   0.00846
SiT2   0.45140   0.25874   0.13556   0.76000   0.00841
AlT2   0.45140   0.25874   0.13556   0.24000   0.00841
O1   0.46160   0.94370   0.05368   1.00000   0.01237
O2   0.38530   0.25180   0.05373   1.00000   0.01212
O3   0.41950   0.09330   0.16851   1.00000   0.01709
O4   0.24890   0.81260   0.15770   1.00000   0.01881
O5   0.24840   0.36920   0.16890   1.00000   0.01677
O6   0.45760   0.56210   0.05076   1.00000   0.01432
H   0.37920   0.65050   0.05950   1.00000   0.02533
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 0.02377 0.02554 0.02263 0.00000 0.00320 0.00000
Na 0.02377 0.02554 0.02263 0.00000 0.00320 0.00000
Ba 0.02377 0.02554 0.02263 0.00000 0.00320 0.00000
AlM2 0.00448 0.00754 0.00889 -0.00021 0.00152 0.00055
MgM2 0.00448 0.00754 0.00889 -0.00021 0.00152 0.00055
FeM2 0.00448 0.00754 0.00889 -0.00021 0.00152 0.00055
MnM2 0.00448 0.00754 0.00889 -0.00021 0.00152 0.00055
TiM2 0.00448 0.00754 0.00889 -0.00021 0.00152 0.00055
SiT1 0.00652 0.00840 0.01051 -0.00002 0.01833 0.00055
AlT1 0.00652 0.00840 0.01051 -0.00002 0.01833 0.00055
SiT2 0.00625 0.00878 0.01030 0.00024 0.00141 0.00027
AlT2 0.00625 0.00878 0.01030 0.00024 0.00141 0.00027
O1 0.01059 0.01401 0.01253 0.00095 0.00210 0.00055
O2 0.01209 0.01236 0.01192 -0.00024 0.00210 0.00100
O3 0.02024 0.01483 0.01636 0.00095 0.00471 -0.00018
O4 0.01467 0.02225 0.01960 -0.00355 0.00052 0.00456
O5 0.01426 0.01936 0.01677 0.00378 0.00157 -0.00155
O6 0.01277 0.01483 0.01535 -0.00071 0.00419 -0.00219