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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/81/9008120.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_9008120
loop_
_publ_author_name
'Prewitt, C. T.'
'Kirchner, E.'
'Preisinger, A.'
_publ_section_title
;
 Crystal structure of larsenite PbZnSiO4
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              115
_journal_page_last               130
_journal_paper_doi               10.1524/zkri.1967.124.1-2.115
_journal_volume                  124
_journal_year                    1967
_chemical_compound_source        'Franklin, New Jersey, USA'
_chemical_formula_sum            'O4 Pb Si Zn'
_chemical_name_mineral           Larsenite
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.2441
_cell_length_b                   18.96259
_cell_length_c                   5.06
_cell_formula_units_Z            8
_cell_volume                     791.027
_database_code_amcsd             0010633
_exptl_crystal_density_diffrn    6.124
_cod_original_formula_sum        'Pb Zn Si O4'
_cod_database_code               9008120
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,1/2+z
-x,-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
Pb1 0.03730 0.27020 0.25000 0.01267
Pb2 0.14760 0.05880 0.27800 0.01140
Zn1 0.82200 0.15600 0.71700 0.01013
Zn2 0.50170 0.05790 0.72200 0.00760
Si1 0.20080 0.17810 0.72600 0.00760
Si2 0.73120 0.07390 0.21500 0.01013
O1 0.22000 0.25700 0.59300 0.01773
O2 0.35100 0.13000 0.64600 0.00887
O3 0.03700 0.14700 0.58400 0.01013
O4 0.17300 0.18300 0.04200 0.01646
O5 0.74800 0.15200 0.08100 0.01140
O6 0.57200 0.03400 0.08100 0.00887
O7 0.88600 0.02400 0.14400 0.01013
O8 0.70300 0.07900 0.53200 0.01393
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010633
