#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/77/9017732.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_9017732
loop_
_publ_author_name
'Li, T.'
'Li, Z.'
'Fan, G.'
'Fan, H.'
'Zhong, J.'
'Jahdali, N. S.'
'Qin, M.'
'Jehani, A. M.'
'Wang, F.'
'Nahdi, M. M.'
_publ_section_title
;
 Hydroxyplumbopyrochlore, (Pb1.5,[]0.5)Nb2O6(OH), a new member of the
 pyrochlore group from Jabal Sayid, Saudi Arabia
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              785
_journal_page_last               790
_journal_volume                  84
_journal_year                    2020
_chemical_compound_source        'Jabal Sayid, Saudi Arabia'
_chemical_formula_sum
'Ca0.06 H0.61 Nb1.76 O6.61 Pb1.34 Ta0.12 Ti0.12'
_chemical_name_mineral           Hydroxyplumbopyrochlore
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.5456
_cell_length_b                   10.5456
_cell_length_c                   10.5456
_cell_formula_units_Z            8
_cell_volume                     1172.773
_database_code_amcsd             0020898
_exptl_crystal_density_diffrn    6.540
_cod_data_source_file            inputs/fixed/downloads/18/18639.cif
_cod_data_source_block           18639
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Pb1.34 Ca.06 (Nb1.76 Ti.12 Ta.12) O6.61 H.61'
_cod_database_code               9017732
loop_
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1/2+x,y,1/2+z
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1/4+z,1/2-x,3/4+y
1/4+z,-x,1/4+y
3/4-y,1/2+z,1/4-x
3/4-y,+z,3/4-x
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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
Pb 0.25000 0.50000 0.25000 0.67000 0.02910
Ca 0.25000 0.50000 0.25000 0.03000 0.02910
Nb 0.50000 0.75000 0.25000 0.88000 0.01494
Ti 0.50000 0.75000 0.25000 0.06000 0.01494
Ta 0.50000 0.75000 0.25000 0.06000 0.01494
O-H1 0.37500 0.37500 0.37500 0.61000 0.06000
O2 0.43620 0.62500 0.12500 1.00000 0.01980
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020898
