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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/17/9001701.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_9001701
loop_
_publ_author_name
'Downs, R. T.'
'Hazen, R. M.'
'Finger, L. W.'
_publ_section_title
;
 Crystal chemistry of lead aluminosilicate hollandite: A new high-pressure
 synthetic phase with octahedral Si
;
_journal_name_full               'American Mineralogist'
_journal_page_first              937
_journal_page_last               940
_journal_volume                  80
_journal_year                    1995
_chemical_formula_sum            'Al1.6 O8 Pb2.198 Si2.4'
_chemical_name_mineral           Pb(Al,Si)4O8
_space_group_IT_number           79
_symmetry_space_group_name_Hall  'I 4'
_symmetry_space_group_name_H-M   'I 4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.414
_cell_length_b                   9.414
_cell_length_c                   2.75
_cell_formula_units_Z            2
_cell_volume                     243.714
_database_code_amcsd             0001757
_exptl_crystal_density_diffrn    9.457
_cod_original_formula_sum        'Pb2.198 (Si2.4 Al1.6) O8'
_cod_database_code               9001701
_amcsd_formula_title             Pb(Al,Si)4O8
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
-x,-y,z
1/2-x,1/2-y,1/2+z
y,-x,z
1/2+y,1/2-x,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Pb1 0.04350 0.00000 0.41460 0.46600 0.01900
Pb2 0.00000 0.00000 0.71790 0.33400 0.01900
Si 0.35100 0.16380 0.00000 0.60000 0.00773
Al 0.35100 0.16380 0.00000 0.40000 0.00773
O1 0.15460 0.20160 0.00000 1.00000 0.00507
O2 0.54180 0.16410 0.00000 1.00000 0.00507
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001757
