#------------------------------------------------------------------------------
#$Date: 2024-05-29 15:00:33 +0100 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/76/9017688.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_9017688
loop_
_publ_author_name
'Vymazalova, A.'
'Grokhovskaya, T. L.'
'Laufek, F.'
'Rassulov, V. A.'
_publ_section_title
;
 Lukkulaisvaaraite, Pd14Ag2Te9, a new mineral from Lukkulaisvaara intrusion,
 northern Russian Karelia, Russia
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              1743
_journal_page_last               1754
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source
'Lukkulaisvaara intrusion, northern Russian Karelia, Russia'
_chemical_formula_sum            'Ag2 Pd14 Te9'
_chemical_name_mineral           Lukkulaisvaaraite
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.9599
_cell_length_b                   8.9599
_cell_length_c                   11.822
_cell_formula_units_Z            2
_cell_volume                     949.068
_database_code_amcsd             0020606
_exptl_crystal_density_diffrn    9.987
_cod_data_source_file            inputs/fixed/downloads/18/18595.cif
_cod_data_source_block           18595
_cod_original_formula_sum        'Pd14 Ag2 Te9'
_cod_database_code               9017688
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
y,-x,-z
1/2+y,1/2-x,1/2-z
-y,x,z
1/2-y,1/2+x,1/2+z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
-y,x,-z
1/2-y,1/2+x,1/2-z
y,-x,z
1/2+y,1/2-x,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
PdM1 0.57180 0.27900 0.36160 0.00823
PdM2 0.70510 0.40680 0.00000 0.00760
PdM3 0.50000 0.00000 0.00000 0.01013
AgM4 0.50000 0.50000 0.19190 0.01013
Te1 0.50000 0.50000 0.50000 0.01013
Te2 0.62620 0.18800 0.14800 0.00887
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020606