#------------------------------------------------------------------------------
#$Date: 2017-10-13 08:28:26 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201972 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/22/2102266.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2102266
loop_
_publ_author_name
'Angel, R. J.'
'Bismayer, U.'
'Marshall, W. G.'
_publ_section_title
;
 Local and long-range order in ferroelastic lead phosphate at high
 pressure
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1107/S0108768103026582
_journal_volume                  60
_journal_year                    2004
_chemical_formula_analytical     Ni
_chemical_formula_moiety         Ni
_chemical_formula_structural     Ni
_chemical_formula_sum            Ni
_chemical_formula_weight         58.71
_chemical_name_common            Nickel
_chemical_name_systematic        ' ?'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   3.5421(11)
_cell_length_b                   3.5421
_cell_length_c                   3.5421
_cell_measurement_temperature    298
_cell_volume                     44.44(5)
_cod_data_source_file            ws5002.cif
_cod_database_code               2102266
loop_
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2 +z,+x,+y
3 +y,+z,+x
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5 -z,+x,+y
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7 -z,+x,-y
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203 +y+1/2,+z,+x+1/2
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206 +y+1/2,-z,+x+1/2
207 -z+1/2,+x,-y+1/2
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213 +y+1/2,+x,+z+1/2
214 +z+1/2,+y,+x+1/2
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323 -z+1/2,-y+1/2,+x
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-317 +z+1/2,-y+1/2,-x
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_type_symbol
Ni 0.0 0.0 0.0 0.025 Uiso 1.0 NI
loop_
_atom_type_symbol
NI
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 910
