#------------------------------------------------------------------------------
#$Date: 2017-10-13 08:28:26 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201972 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/22/2102248.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_2102248
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                   3.5587(5)
_cell_length_b                   3.5587
_cell_length_c                   3.5587
_cell_measurement_temperature    298
_cell_volume                     45.069(6)
_cod_data_source_file            ws5002.cif
_cod_data_source_block           S2P12_phase_3
_cod_original_cell_volume        45.070(18)
_cod_database_code               2102248
loop_
_symmetry_equiv_pos_site_id
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1 +x,+y,+z
2 +z,+x,+y
3 +y,+z,+x
4 +x,+y,-z
5 -z,+x,+y
6 +y,-z,+x
7 -z,+x,-y
8 -y,-z,+x
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10 -x,+y,-z
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12 +x,-y,-z
13 +y,+x,+z
14 +z,+y,+x
15 +x,+z,+y
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19 -z,+y,-x
20 -x,-z,+y
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22 -y,+x,-z
23 -z,-y,+x
24 +y,-x,-z
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-2 -z,-x,-y
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101 +x,+y+1/2,+z+1/2
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103 +y,+z+1/2,+x+1/2
104 +x,+y+1/2,-z+1/2
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108 -y,-z+1/2,+x+1/2
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114 +z,+y+1/2,+x+1/2
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202 +z+1/2,+x,+y+1/2
203 +y+1/2,+z,+x+1/2
204 +x+1/2,+y,-z+1/2
205 -z+1/2,+x,+y+1/2
206 +y+1/2,-z,+x+1/2
207 -z+1/2,+x,-y+1/2
208 -y+1/2,-z,+x+1/2
209 +y+1/2,-z,-x+1/2
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211 -z+1/2,-x,+y+1/2
212 +x+1/2,-y,-z+1/2
213 +y+1/2,+x,+z+1/2
214 +z+1/2,+y,+x+1/2
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308 -y+1/2,-z+1/2,+x
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311 -z+1/2,-x+1/2,+y
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313 +y+1/2,+x+1/2,+z
314 +z+1/2,+y+1/2,+x
315 +x+1/2,+z+1/2,+y
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317 -z+1/2,+y+1/2,+x
318 +x+1/2,-z+1/2,+y
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322 -y+1/2,+x+1/2,-z
323 -z+1/2,-y+1/2,+x
324 +y+1/2,-x+1/2,-z
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-317 +z+1/2,-y+1/2,-x
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-322 +y+1/2,-x+1/2,+z
-323 +z+1/2,+y+1/2,-x
-324 -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_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
