#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/17/9001724.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_9001724
loop_
_publ_author_name
'Hazen, R. M.'
'Downs, R. T.'
'Finger, L. W.'
_publ_section_title
;High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
 compression Sample: #2, P = 0.23 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              327
_journal_page_last               334
_journal_volume                  81
_journal_year                    1996
_chemical_formula_structural     LiScSiO4
_chemical_formula_sum            'Li O4 Sc Si'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_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                   4.8190
_cell_length_b                   10.4333
_cell_length_c                   5.9672
_cell_formula_units_Z            4
_cell_volume                     300.019
_database_code_amcsd             0001780
_diffrn_ambient_pressure         2.3e+05
_exptl_crystal_density_diffrn    3.188
_cod_original_formula_sum        'Si Li Sc O4'
_cod_database_code               9001724
_amcsd_formula_title             LiScSiO4
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Si 0.43214 0.09099 0.25000 0.00608
Li 0.00000 0.00000 0.00000 0.01646
Sc 0.99172 0.27458 0.25000 0.00469
O1 0.76281 0.10020 0.25000 0.00785
O2 0.20023 0.44773 0.25000 0.00608
O3 0.28266 0.16835 0.03920 0.00557
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001780
