#------------------------------------------------------------------------------
#$Date: 2012-11-23 09:52:00 +0000 $
#$Revision: 001 $ Daniel Chateigner
#------------------------------------------------------------------------------
#
# This file is available in the Material Properties Open Database (MPOD),
# http://www.mpod.net/
#
# 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_1000303
_cod_database_code ?
_structure_refined 'yes'
_phase_name 's-collidine titanium disulfide'
_phase_formula '(s-collidine)1/6TiS2'
_chemical_formula_sum 'C8 H11 N1 Ti1 S2'
_symmetry_point_group_name_H-M '-3 m'
_cell_length_a  3.414(4)
_cell_length_b  3.414(4)
_cell_length_c  28.242(6)
_cell_angle_alpha  90
_cell_angle_beta   90
_cell_angle_gamma  120

loop_
_publ_author_name
'Whittingham, M. Stanley'
'Thompson, Arthur H.'
_publ_section_title
;
 Intercalation and lattice expansion in titanium disulfide
;
_journal_name_full               'The Journal of Chemical Physics'
_journal_volume                  62
_journal_issue                   4
_journal_page_first              1588
_journal_page_last               1588
_journal_year                    1975

_prop_measurement_method 'PXD'
_prop_thermal_expansion_alphaij 'alphaij'
_prop_conditions_reference_temperature_thermoelastic_non_linear_fit 300
_prop_conditions_temperature_range_start 75
_prop_conditions_temperature_range_end 300
_prop_conditions_temperature_cycle 1

loop_
_prop_data_label
_prop_data_tensorial_index
_prop_data_value
alphaij 11 1.0(5)
alphaij 22 1.0(5)
alphaij 33 4.5