#------------------------------------------------------------------------------
#$Date: 2016-12-25 14:38:08 +0200 (Sun, 25 Dec 2016) $
#$Revision: 189405 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/48/1544878.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_1544878
loop_
_publ_author_name
'Kato, T.'
'Miura, Y.'
'Yoshii, M.'
'Maeda, K.'
_publ_section_title
;
 The crystal structures of 1M-kinoshitalite, a new barium brittle mica and
 1M-manganese trioctahedral micas Sample: No.5
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              392
_journal_page_last               408
_journal_volume                  9
_journal_year                    1979
_chemical_formula_sum
'Al1.65 Ba0.35 F0.07 H1.18 K0.58 Mg2.1 Mn0.73 O12 Si2.33'
_chemical_name_common            (K,Na)(Mn,Mg,Fe)3(Si,Al)4O10(OH)2
_chemical_name_mineral           '1M-manganese trioctahedral micas'
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.92(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.330(2)
_cell_length_b                   9.245(3)
_cell_length_c                   10.240(3)
_cell_volume                     497.0(3)
_cod_data_source_file            Mn-1M-mica5.cif
_cod_data_source_block           1M-mica-5
_cod_original_formula_sum
'K0.58 Ba0.35 Mn0.73 Mg2.10 Si2.33 Al1.65 O12 H1.18 F0.07'
_cod_database_code               1544878
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x, y, -z'
'x, -y, z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
T 0.5800 0.5755(4) 0.1666(2) 0.2260(2) Biso 0.198215 Si
T 0.4100 0.5755(4) 0.1666(2) 0.2260(2) Biso 0.198215 Al
M1 0.7000 0.000000 0.500000 0.500000 Biso 0.094440 Mg
M1 0.2400 0.000000 0.500000 0.500000 Biso 0.094440 Mn
M1 0.1200 0.000000 0.500000 0.500000 Biso 0.094440 Al
M2 0.7000 0.000000 0.8306(2) 0.500000 Biso 0.107932 Mg
M2 0.2400 0.000000 0.8306(2) 0.500000 Biso 0.107932 Mn
M2 0.1200 0.000000 0.8306(2) 0.500000 Biso 0.107932 Al
I 0.5760 0.000000 0.000000 0.000000 Biso 0.700091 K
I 0.3470 0.000000 0.000000 0.000000 Biso 0.700091 Ba
O1 1.0 0.8336(10) 0.2223(5) 0.1677(5) Biso 1.262552 O
O2 1.0 0.5227(14) 0.000000 0.1677(7) Biso 1.150419 O
O3 1.0 0.6296(8) 0.1671(4) 0.3904(4) Biso 0.957499 O
OH 1.0 0.1299(13) 0.000000 0.3977(7) Biso 0.994926 O
