#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/06/9000655.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_9000655
loop_
_publ_author_name
'Fujino, K.'
'Takeuchi, Y.'
_publ_section_title
;
 Crystal chemistry of titanian chondrodite and titanian clinohumite of
 high-pressure origin
;
_journal_name_full               'American Mineralogist'
_journal_page_first              535
_journal_page_last               543
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Fe1.14 H1.14 Mg7.44 O18 Si4 Ti0.42'
_chemical_name_mineral           Hydroxylclinohumite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2xab'
_symmetry_space_group_name_H-M   'P 21/b 1 1'
_cell_angle_alpha                101.00
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.745
_cell_length_b                   10.283
_cell_length_c                   13.699
_cell_formula_units_Z            2
_cell_volume                     656.132
_database_code_amcsd             0000668
_exptl_crystal_density_diffrn    3.371
_cod_original_formula_sum        'Mg7.44 Fe1.14 Ti.42 Si4 O18 H1.14'
_cod_database_code               9000655
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg1c 0.50000 0.00000 0.50000 0.88000
Fe1c 0.50000 0.00000 0.50000 0.10000
Ti1c 0.50000 0.00000 0.50000 0.02000
Mg1n 0.49665 0.94603 0.27464 0.87000
Fe1n 0.49665 0.94603 0.27464 0.11000
Ti1n 0.49665 0.94603 0.27464 0.02000
Mg25 0.01510 0.13976 0.16975 0.87000
Fe25 0.01510 0.13976 0.16975 0.13000
Mg26 0.51051 0.25040 0.38777 0.87000
Fe26 0.51051 0.25040 0.38777 0.13000
Mg3 0.49488 0.88433 0.04094 0.67000
Fe3 0.49488 0.88433 0.04094 0.15000
Ti3 0.49488 0.88433 0.04094 0.18000
Si1 0.07266 0.06676 0.38979 1.00000
Si2 0.07556 0.17647 0.83515 1.00000
O1 0.73273 0.06454 0.38817 1.00000
O2 0.28065 0.42061 0.38784 1.00000
O3 0.22140 0.11282 0.29420 1.00000
O4 0.22022 0.15850 0.48640 1.00000
O5 0.23521 0.32327 0.16313 1.00000
O6 0.77724 0.96806 0.16339 1.00000
O7 0.72257 0.27891 0.26139 1.00000
O8 0.72554 0.22876 0.06896 1.00000
O9 0.25717 0.04469 0.05356 1.00000
H 0.06000 0.02200 0.02700 0.57000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000668
