#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/73/9017384.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_9017384
loop_
_publ_author_name
'Yang, G.'
'Li, G.'
'Xiong, M.'
'Pan, B.'
'Yan, C.'
_publ_section_title
;
 Hydroxycalciopyrochlore, a new mineral species from Sichuan, China
;
_journal_name_full               'Acta Geologica Sinica'
_journal_page_first              748
_journal_page_last               753
_journal_volume                  88
_journal_year                    2014
_chemical_compound_source
'Maoniuping mine, Mianning County, Xichang prefecture, Sichuan Province, China'
_chemical_formula_sum
'Al0.01 Ca0.74 Ce0.05 F0.09 Fe0.02 H0.91 Mg0.01 Na0.58 Nb1.15 O6.91 Ta0.03 Ti0.8 U0.4'
_chemical_name_mineral           Hydroxycalciopyrochlore
_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                   10.381
_cell_length_b                   10.381
_cell_length_c                   10.381
_cell_formula_units_Z            8
_cell_volume                     1118.710
_database_code_amcsd             0020233
_exptl_crystal_density_diffrn    4.876
_cod_data_source_file            inputs/fixed/downloads/14/14147.cif
_cod_data_source_block           14147
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum
'Ca.74 Na.58 U.4 Ce.05 Fe.02 (Nb1.15 Ti.8 Ta.03 Al.01 Mg.01) O6.91 (F.09 H.91)'
_cod_database_code               9017384
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
1/4-y,1/2+z,3/4-x
1/4-y,+z,1/4-x
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca1 0.00000 0.50000 0.50000 0.37000
Na1 0.00000 0.50000 0.50000 0.29000
U1 0.00000 0.50000 0.50000 0.20000
Ce1 0.00000 0.50000 0.50000 0.02500
Fe1 0.00000 0.50000 0.50000 0.01000
Nb2 0.75000 0.75000 0.50000 0.57500
Ti2 0.75000 0.75000 0.50000 0.40000
Ta2 0.75000 0.75000 0.50000 0.01500
Al2 0.75000 0.75000 0.50000 0.00500
Mg2 0.75000 0.75000 0.50000 0.00500
O1 0.87500 0.67700 0.37500 1.00000
O-H2 0.87500 0.37500 0.37500 0.91000
F2 0.87500 0.37500 0.37500 0.09000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020233
