#------------------------------------------------------------------------------
#$Date: 2024-05-29 16:00:33 +0200 (Wed 29 de May de 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/72/9017286.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_9017286
loop_
_publ_author_name
'Nenert, G.'
'Missen, O. P.'
'Lian, H.'
'Weil, M.'
'Blake, G. R.'
'Kampf, A. R.'
'Mills, S. J.'
_publ_section_title
;
 Crystal structure and thermal behavior of Bi6Te2O15: investigation of
 synthetic and natural pingguite
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_last               53
_journal_volume                  47
_journal_year                    2020
_chemical_compound_source        'Blue Bell mine, California, USA'
_chemical_formula_sum            'Bi6 O15 Te2'
_chemical_name_mineral           Pingguite
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.637
_cell_length_b                   22.797
_cell_length_c                   5.4136
_cell_formula_units_Z            4
_cell_volume                     1312.753
_database_code_amcsd             0020925
_exptl_crystal_density_diffrn    8.850
_cod_data_source_file            inputs/fixed/downloads/10/10505.cif
_cod_data_source_block           10505
_cod_original_formula_sum        'Bi6 Te2 O15'
_cod_database_code               9017286
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Bi1 0.11670 0.62239 0.26590
Bi2 0.37994 0.00591 0.28230
Bi3 0.13800 0.25000 0.77590
Bi4 0.39030 0.25000 0.26930
Te 0.13160 0.12789 0.25210
O1 0.00400 0.16280 0.05000
O2 0.01100 0.07210 0.38800
O3 0.06270 0.53240 0.14200
O4 0.07600 0.17950 0.50500
O5 0.24810 0.18550 0.12400
O6 0.25800 0.09350 0.45000
O7 0.31300 0.57640 0.49800
O8 0.32500 0.25000 0.64000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020925
