#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/12/9001268.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9001268
loop_
_publ_author_name
'Brigatti, M. F.'
'Davoli, P.'
_publ_section_title
;
 Crystal-structure refinement of 1M plutonic biotites
 sample M62 from a rock transitional between granitic and monzonitic in
 the Valle del Cervo pluton
;
_journal_name_full               'American Mineralogist'
_journal_page_first              305
_journal_page_last               313
_journal_volume                  75
_journal_year                    1990
_chemical_formula_sum            'Al Fe H2 K Mg2 O12 Si3'
_chemical_name_mineral           Biotite
_space_group_IT_number           12
_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                 100.15
_cell_angle_gamma                90
_cell_length_a                   5.337
_cell_length_b                   9.242
_cell_length_c                   10.211
_cell_formula_units_Z            2
_cell_volume                     495.771
_database_code_amcsd             0001298
_exptl_crystal_density_diffrn    3.006
_cod_original_formula_sum        'Fe Mg2 K (Al Si3) O12 H2'
_cod_database_code               9001268
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
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
Fe1 0.01049 0.01558 0.02047 0.00000 0.00535 0.00000
Mg2 0.01119 0.01731 0.02098 0.00000 0.00455 0.00000
K 0.03426 0.03548 0.04555 0.00000 0.00696 0.00000
Al 0.00601 0.00865 0.02047 0.00025 0.00401 0.00141
Si 0.00601 0.00865 0.02047 0.00025 0.00401 0.00141
O1 0.03076 0.01385 0.02917 0.00000 0.00428 0.00000
O2 0.01608 0.03116 0.03122 -0.00640 0.00829 -0.00235
O3 0.00895 0.00865 0.03173 0.00025 0.00642 0.00047
O4 0.01342 0.01644 0.00819 0.00000 0.00027 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe1 0.00000 0.00000 0.50000 1.00000
Mg2 0.00000 0.33500 0.50000 1.00000
K 0.00000 0.50000 0.00000 1.00000
Al 0.07460 0.16660 0.22550 0.25000
Si 0.07460 0.16660 0.22550 0.75000
O1 0.02390 0.00000 0.16980 1.00000
O2 0.32070 0.23400 0.16810 1.00000
O3 0.13030 0.16760 0.39090 1.00000
O4 0.13050 0.50000 0.39520 1.00000
H 0.09000 0.50000 0.31500 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001298
