#------------------------------------------------------------------------------
#$Date: 2024-05-29 16:00:33 +0200 (Wed 29 de May de 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/59/9015965.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_9015965
loop_
_publ_author_name
'Schluter, J.'
'Pohl, D.'
'Britvin, S.'
_publ_section_title
;
 The new mineral challacolloite, KPb2Cl5, the natural occurrence of a
 technically known laser material
;
_journal_name_full
'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_page_first              95
_journal_page_last               101
_journal_paper_doi               10.1127/0077-7757/2005/0033
_journal_volume                  182
_journal_year                    2005
_chemical_compound_source
'Challacollo silver mine, Iquique, Atacama desert, Chile'
_chemical_formula_sum            'Cl5 K Pb2'
_chemical_name_mineral           Challacolloite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.153
_cell_angle_gamma                90
_cell_length_a                   8.864
_cell_length_b                   7.932
_cell_length_c                   12.491
_cell_formula_units_Z            4
_cell_volume                     878.230
_database_code_amcsd             0019134
_exptl_crystal_density_diffrn    4.771
_cod_original_formula_sum        'K Pb2 Cl5'
_cod_database_code               9015965
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-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
K 0.01510 0.04290 0.82950 0.03331
Pb1 0.50540 0.98630 0.17360 0.03331
Pb2 0.24490 0.93530 0.49370 0.03331
Cl1 0.04130 0.30820 0.07150 0.03331
Cl2 0.46600 0.34550 0.10110 0.03331
Cl3 0.25550 0.14710 0.31100 0.03331
Cl4 0.27280 0.53060 0.48730 0.03331
Cl5 0.21750 0.69410 0.21950 0.03331
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019134
