#------------------------------------------------------------------------------
#$Date: 2024-05-29 15:00:33 +0100 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/77/9017787.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_9017787
loop_
_publ_author_name
'Bocchio, R.'
'Brajkovic, A.'
'Pilati, T.'
_publ_section_title
;
 Crystal chemistry of the olivines in the peridotites from the Ivrea-
 Verbano Zone (Western Italian Alps)
 Note: Sample PB9
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              313
_journal_page_last               324
_journal_volume                  7
_journal_year                    1986
_chemical_compound_source
'Finero, Ivrea-Verbano Zone, Western Italian Alps'
_chemical_formula_sum            'Fe0.172 Mg1.828 O4 Si'
_chemical_name_mineral           Forsterite
_space_group_IT_number           62
_space_group_name_Hall           '-P 2c 2ab'
_space_group_name_H-M_alt        'P b n m'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.762
_cell_length_b                   10.231
_cell_length_c                   5.993
_cell_formula_units_Z            4
_cell_volume                     291.979
_database_code_amcsd             0020390
_exptl_crystal_density_diffrn    3.324
_cod_data_source_file            inputs/fixed/downloads/18/18919.cif
_cod_data_source_block           18919
_cod_original_formula_sum        '(Mg1.828 Fe.172) Si O4'
_cod_database_code               9017787
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-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
Mg1 0.00540 0.00580 0.00570 0.00000 -0.00070 -0.00118
Fe1 0.00540 0.00580 0.00570 0.00000 -0.00070 -0.00118
Mg2 0.00690 0.00340 0.00640 0.00020 0.00000 0.00000
Fe2 0.00690 0.00340 0.00640 -0.00020 0.00000 0.00000
Si 0.00380 0.00290 0.00500 0.00015 0.00000 0.00000
O1 0.00400 0.00570 0.00640 -0.00040 0.00000 0.00000
O2 0.00590 0.00330 0.00700 -0.00010 0.00000 0.00000
O3 0.00600 0.00530 0.00630 0.00030 -0.00030 0.00150
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg1 0.00000 0.00000 0.00000 0.91200
Fe1 0.00000 0.00000 0.00000 0.08800
Mg2 -0.01005 0.27762 0.25000 0.91600
Fe2 -0.01005 0.27762 0.25000 0.08400
Si 0.42668 0.09432 0.25000 1.00000
O1 0.76610 0.09160 0.25000 1.00000
O2 0.27940 -0.05247 0.25000 1.00000
O3 0.27830 0.16329 0.03310 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020390