#------------------------------------------------------------------------------
#$Date: 2023-04-06 15:31:51 +0300 (Thu, 06 Apr 2023) $
#$Revision: 282478 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/10/00/1100014.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1100014
loop_
_publ_author_name
'Güven, N.'
'Burnham, C. W.'
_publ_section_title              'The Crystal Structure of 3T Muscovite'
_journal_name_full               'Carnegie Institution of Washington: Yearbook'
_journal_page_first              290
_journal_page_last               293
_journal_volume                  65
_journal_year                    1966
_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_structural     'K (Al3 Si3 O10) (O H)2'
_chemical_formula_sum            'Al3 H2 K O12 Si3'
_chemical_name_mineral           'Muscovite 3T'
_chemical_name_systematic        'Potassium alumosilicate hydroxide *'
_space_group_IT_number           151
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 31 1 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.1963(4)
_cell_length_b                   5.1963(4)
_cell_length_c                   29.97049(160)
_cell_volume                     700.840(13)
_database_code_amcsd             0018221
_exptl_crystal_density_meas      2.82
_refine_ls_R_factor_all          0.073
_cod_original_formula_sum        'H2 Al3 K O12 Si3'
_cod_database_code               1100014
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,1/3+z
3 y-x,-x,2/3+z
4 x,x-y,-z
5 -y,-x,2/3-z
6 y-x,y,1/3-z
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
loop_
_atom_type_symbol
_atom_type_oxidation_number
K1+ 1.000
Al3+ 3.000
Si4+ 4.000
O2- -2.000
H1+ 1.000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018221
