data_1100014
_chemical_name_systematic          'Potassium alumosilicate hydroxide *'
_chemical_name_mineral             'Muscovite 3T'
_chemical_formula_structural       'K (Al3 Si3 O10) (O H)2'
_chemical_formula_analytical
;
(K.90 Na.06 Ca.01 Ba.01) Al (Al.83 Fe.08 Mg.09 Ti.01) Si2 (Si.555
Al.445)2 O10 (O H)1.98 F.03
;
_chemical_formula_sum              'H2 Al3 K O12 Si3'
_publ_section_title                'The Crystal Structure of 3 T Muscovite'
loop_
_publ_author_name
  'Gueven, N'
  'Burnham, C W'
_journal_name_full
;
Carnegie Institution of Washington: Yearbook
;
_journal_volume                    65
_journal_year                      1966
_journal_page_first                290
_journal_page_last                 293
_cell_length_a                     5.1963(4)
_cell_length_b                     5.1963(4)
_cell_length_c                     29.97049(160)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       700.8
_cell_formula_units_Z              3
_exptl_crystal_density_meas        2.82
_symmetry_space_group_name_H-M     'P 31 1 2'
_symmetry_Int_Tables_number        151
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,1/3+z'
  'y-x,-x,2/3+z'
  'x,x-y,-z'
  '-y,-x,2/3-z'
  'y-x,y,1/3-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  K1+    1.000
  Al3+   3.000
  Si4+   4.000
  O2-   -2.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  K1    K1+    3 b 0.133(1) -0.133(1) 0.8333 1.  0 d
  Al1   Al3+   3 a -0.230(1) 0.230(1) 0.3333 1.  0 d
  Al2   Al3+   3 a 0.101(1) -0.101(1) 0.3333 1.  0 d
  Al3   Al3+   6 c 0.794(2) 0.204(2) -0.0897(2) 0.5  0 d
  Si1   Si4+   6 c 0.794(2) 0.204(2) -0.0897(2) 0.5  0 d
  Si2   Si4+   6 c 0.467(2) 0.548(2) -0.0897(2) 1.  0 d
  O1    O2-    6 c 0.745(4) 0.167(3) -0.0366(4) 1.  0 d
  O2    O2-    6 c 0.523(3) 0.575(4) -0.0358(4) 1.  0 d
  O3    O2-    6 c 0.671(4) 0.859(5) -0.1106(3) 1.  0 d
  O4    O2-    6 c 0.139(5) 0.458(4) -0.1070(3) 1.  0 d
  O5    O2-    6 c 0.574(4) 0.315(5) -0.1101(3) 1.  0 d
  O6    O2-    6 c 0.128(4) -0.067(6) -0.0345(3) 1.  1 d
  H1    H1+    6 c -1. -1. -1. 1.  0 dum
_refine_ls_R_factor_all            0.073