#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/12/9001225.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_9001225
loop_
_publ_author_name
'Phillips, M. W.'
'Draheim, J. E.'
'Popp, R. K.'
'Clowe, C. A.'
'Pinkerton, A. A.'
_publ_section_title
;
 Effects of oxidation-dehydrogenation in tschermakitic hornblende
 sample H-1, natural
;
_journal_name_full               'American Mineralogist'
_journal_page_first              764
_journal_page_last               773
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum
'Al2.42 Ca1.802 Fe1.846 H2 Mg2.224 Na0.628 O24 Si6.44 Ti0.07'
_chemical_name_mineral           Hornblende
_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                 104.97
_cell_angle_gamma                90
_cell_length_a                   9.813
_cell_length_b                   18.055
_cell_length_c                   5.321
_cell_formula_units_Z            2
_cell_volume                     910.746
_database_code_amcsd             0001249
_exptl_crystal_density_diffrn    3.207
_cod_original_formula_sum
'Al2.42 Si6.44 Fe1.846 Mg2.224 Ti.07 Ca1.802 Na.628 O24 H2'
_cod_database_code               9001225
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Al1 0.28020 0.08606 0.30109 0.39000 ?
Si1 0.28020 0.08606 0.30109 0.61000 ?
Si2 0.29168 0.17334 0.81442 1.00000 ?
Fe1 0.00000 0.08972 0.50000 0.41500 ?
Mg1 0.00000 0.08972 0.50000 0.58500 ?
Fe2 0.00000 0.17782 0.00000 0.21400 ?
Mg2 0.00000 0.17782 0.00000 0.32100 ?
Al2 0.00000 0.17782 0.00000 0.43000 ?
Ti2 0.00000 0.17782 0.00000 0.03500 ?
Fe3 0.00000 0.00000 0.00000 0.58800 ?
Mg3 0.00000 0.00000 0.00000 0.41200 ?
Ca4 0.00000 0.28038 0.50000 0.90100 ?
Na4 0.00000 0.28038 0.50000 0.09900 ?
O1 0.10570 0.09200 0.21160 1.00000 ?
O2 0.11950 0.17530 0.73850 1.00000 ?
O3 0.11080 0.00000 0.71150 1.00000 ?
O4 0.36960 0.25050 0.79430 1.00000 ?
O5 0.35060 0.13940 0.10930 1.00000 ?
O6 0.34210 0.11980 0.60200 1.00000 ?
O7 0.33330 0.00000 0.28600 1.00000 ?
Na2/m 0.00000 0.50000 0.00000 0.43000 ?
H 0.32500 0.50000 0.24500 1.00000 0.00633
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001249
