data_23762-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                23762
_audit_creation_date               1986/10/17
_chemical_name_systematic          'Lead Iodide'
_chemical_formula_structural       'Pb I2'
_chemical_formula_sum              'I2 Pb1'
_publ_section_title
;
Crystal Structures of Three Polytypes of Lead Iodide: Correlation 
Between Phenomena of Arcing and Polytypism
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica A (24,1968-38,1982)' 1970 26 140 144 ACACBN
_publ_author_name
;
Agrawal, V.K.;Chadha, G.K.;Trigunayat, G.C.
;
_cell_length_a                     4.557
_cell_length_b                     4.557
_cell_length_c                     34.895
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  120.
_cell_volume                       627.56
_cell_formula_units_Z              5
_symmetry_space_group_name_H-M     'P 3 m 1'
_symmetry_Int_Tables_number        156
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'-x+y, y, z'
  2	'x, x-y, z'
  3	'-y, -x, z'
  4	'-x+y, -x, z'
  5	'-y, x-y, z'
  6	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
I1-	-1
Pb2+	2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
Pb1 Pb2+ 1 a 0 0 0.853 1. 0 
Pb2 Pb2+ 1 b 0.3333 0.6667 0.053 1. 0 
Pb3 Pb2+ 1 b 0.3333 0.6667 0.253 1. 0 
Pb4 Pb2+ 1 b 0.3333 0.6667 0.453 1. 0 
Pb5 Pb2+ 1 b 0.3333 0.6667 0.653 1. 0 
I1 I1- 1 a 0 0 0 1. 0 
I2 I1- 1 a 0 0 0.2 1. 0 
I3 I1- 1 a 0 0 0.4 1. 0 
I4 I1- 1 a 0 0 0.6 1. 0 
I5 I1- 1 c 0.6667 0.3333 0.106 1. 0 
I6 I1- 1 c 0.6667 0.3333 0.306 1. 0 
I7 I1- 1 c 0.6667 0.3333 0.506 1. 0 
I8 I1- 1 c 0.6667 0.3333 0.706 1. 0 
I9 I1- 1 c 0.6667 0.3333 0.906 1. 0 
I10 I1- 1 b 0.3333 0.6667 0.8 1. 0 

#End of data_23762-ICSD


data_23763-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                23763
_audit_creation_date               1980/01/01
_audit_update_record               2008/02/01
_chemical_name_systematic          'Lead Iodide'
_chemical_formula_structural       'Pb I2'
_chemical_formula_sum              'I2 Pb1'
_publ_section_title
;
Crystal structures of three polytypes of lead iodide: Correlation 
between phenomena of arcing and polytypism
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica A (24,1968-38,1982)' 1970 26 140 144 ACACBN
_publ_author_name
;
Agrawal, V.K.;Chadha, G.K.;Trigunayat, G.C.
;
_cell_length_a                     4.557
_cell_length_b                     4.557
_cell_length_c                     48.853
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  120.
_cell_volume                       878.58
_cell_formula_units_Z              7
_symmetry_space_group_name_H-M     'P 3 m 1'
_symmetry_Int_Tables_number        156
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'-x+y, y, z'
  2	'x, x-y, z'
  3	'-y, -x, z'
  4	'-x+y, -x, z'
  5	'-y, x-y, z'
  6	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
I1-	-1
Pb2+	2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
Pb1 Pb2+ 1 a 0 0 0.895 1. 0 
Pb2 Pb2+ 1 b 0.3333 0.6667 0.038 1. 0 
Pb3 Pb2+ 1 b 0.3333 0.6667 0.181 1. 0 
Pb4 Pb2+ 1 b 0.3333 0.6667 0.324 1. 0 
Pb5 Pb2+ 1 b 0.3333 0.6667 0.466 1. 0 
Pb6 Pb2+ 1 b 0.3333 0.6667 0.609 1. 0 
Pb7 Pb2+ 1 b 0.3333 0.6667 0.752 1. 0 
I1 I1- 1 a 0 0 0 1. 0 
I2 I1- 1 a 0 0 0.143 1. 0 
I3 I1- 1 a 0 0 0.286 1. 0 
I4 I1- 1 a 0 0 0.429 1. 0 
I5 I1- 1 a 0 0 0.571 1. 0 
I6 I1- 1 a 0 0 0.714 1. 0 
I7 I1- 1 c 0.6667 0.3333 0.076 1. 0 
I8 I1- 1 c 0.6667 0.3333 0.219 1. 0 
I9 I1- 1 c 0.6667 0.3333 0.361 1. 0 
I10 I1- 1 c 0.6667 0.3333 0.504 1. 0 
I11 I1- 1 c 0.6667 0.3333 0.647 1. 0 
I12 I1- 1 c 0.6667 0.3333 0.79 1. 0 
I13 I1- 1 c 0.6667 0.3333 0.933 1. 0 
I14 I1- 1 b 0.3333 0.6667 0.857 1. 0 

#End of data_23763-ICSD


data_23764-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                23764
_audit_creation_date               1980/01/01
_audit_update_record               2007/04/01
_chemical_name_systematic          'Lead Iodide'
_chemical_formula_structural       'Pb I2'
_chemical_formula_sum              'I2 Pb1'
_publ_section_title
;
Crystal structures of three polytypes of lead iodide: Correlation 
between phenomena of arcing and polytypism
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica A (24,1968-38,1982)' 1970 26 140 144 ACACBN
_publ_author_name
;
Agrawal, V.K.;Chadha, G.K.;Trigunayat, G.C.
;
_cell_length_a                     4.557
_cell_length_b                     4.557
_cell_length_c                     69.79
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  120.
_cell_volume                       1255.11
_cell_formula_units_Z              10
_symmetry_space_group_name_H-M     'P 3 m 1'
_symmetry_Int_Tables_number        156
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'-x+y, y, z'
  2	'x, x-y, z'
  3	'-y, -x, z'
  4	'-x+y, -x, z'
  5	'-y, x-y, z'
  6	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
I1-	-1
Pb2+	2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
Pb1 Pb2+ 1 b 0.3333 0.6667 0.027 1. 0 
Pb2 Pb2+ 1 b 0.3333 0.6667 0.127 1. 0 
Pb3 Pb2+ 1 b 0.3333 0.6667 0.227 1. 0 
Pb4 Pb2+ 1 b 0.3333 0.6667 0.327 1. 0 
Pb5 Pb2+ 1 b 0.3333 0.6667 0.427 1. 0 
Pb6 Pb2+ 1 b 0.3333 0.6667 0.527 1. 0 
Pb7 Pb2+ 1 b 0.3333 0.6667 0.627 1. 0 
Pb8 Pb2+ 1 b 0.3333 0.6667 0.727 1. 0 
Pb9 Pb2+ 1 a 0 0 0.827 1. 0 
Pb10 Pb2+ 1 a 0 0 0.927 1. 0 
I1 I1- 1 a 0 0 0.1 1. 0 
I2 I1- 1 a 0 0 0.2 1. 0 
I3 I1- 1 a 0 0 0 1. 0 
I4 I1- 1 a 0 0 0.3 1. 0 
I5 I1- 1 a 0 0 0.4 1. 0 
I6 I1- 1 a 0 0 0.5 1. 0 
I7 I1- 1 a 0 0 0.6 1. 0 
I8 I1- 1 a 0 0 0.7 1. 0 
I9 I1- 1 c 0.6667 0.3333 0.053 1. 0 
I10 I1- 1 c 0.6667 0.3333 0.153 1. 0 
I11 I1- 1 c 0.6667 0.3333 0.253 1. 0 
I12 I1- 1 c 0.6667 0.3333 0.353 1. 0 
I13 I1- 1 c 0.6667 0.3333 0.453 1. 0 
I14 I1- 1 c 0.6667 0.3333 0.553 1. 0 
I15 I1- 1 c 0.6667 0.3333 0.653 1. 0 
I16 I1- 1 c 0.6667 0.3333 0.753 1. 0 
I17 I1- 1 c 0.6667 0.3333 0.853 1. 0 
I18 I1- 1 c 0.6667 0.3333 0.953 1. 0 
I19 I1- 1 b 0.3333 0.6667 0.8 1. 0 
I20 I1- 1 b 0.3333 0.6667 0.9 1. 0 

#End of data_23764-ICSD


data_24263-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                24263
_audit_creation_date               1986/10/17
_audit_update_record               2003/10/01
_chemical_name_systematic          'Lead Iodide'
_chemical_formula_structural       'Pb I2'
_chemical_formula_sum              'I2 Pb1'
_publ_section_title
;
Structural polytypism of lead iodide and its relationship to screw 
dislocations
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
 1959 111 372 384 ZEKGAX
_publ_author_name                  'Mitchell, R.S.'
_cell_length_a                     4.557
_cell_length_b                     4.557
_cell_length_c                     13.958
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  120.
_cell_volume                       251.02
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63 m c'
_symmetry_Int_Tables_number        186
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'-x, -x+y, z+1/2'
  2	'x-y, -y, z+1/2'
  3	'y, x, z+1/2'
  4	'x-y, x, z+1/2'
  5	'y, -x+y, z+1/2'
  6	'-x, -y, z+1/2'
  7	'x, x-y, z'
  8	'-x+y, y, z'
  9	'-y, -x, z'
 10	'-x+y, -x, z'
 11	'-y, x-y, z'
 12	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
I1-	-1
Pb2+	2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
Pb1 Pb2+ 2 b 0.3333 0.6667 0 1. 0 
I1 I1- 2 a 0 0 0.133 1. 0 
I2 I1- 2 b 0.6667 0.3333 0.867 1. 0 

#End of data_24263-ICSD


data_24265-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                24265
_audit_creation_date               1980/01/01
_audit_update_record               2000/07/15
_chemical_name_systematic          'Lead Iodide'
_chemical_formula_structural       'Pb I2'
_chemical_formula_sum              'I2 Pb1'
_publ_section_title
;
Structural polytypism of lead iodide and its relationship to screw 
dislocations
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
 1959 111 372 384 ZEKGAX
_publ_author_name                  'Mitchell, R.S.'
_cell_length_a                     4.557
_cell_length_b                     4.557
_cell_length_c                     20.937
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  120.
_cell_volume                       376.53
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'R -3 m H'
_symmetry_Int_Tables_number        166
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'x-y, -y, -z'
  2	'-x, -x+y, -z'
  3	'y, x, -z'
  4	'x-y, x, -z'
  5	'y, -x+y, -z'
  6	'-x, -y, -z'
  7	'-x+y, y, z'
  8	'x, x-y, z'
  9	'-y, -x, z'
 10	'-x+y, -x, z'
 11	'-y, x-y, z'
 12	'x, y, z'
 13	'x-y+2/3, -y+1/3, -z+1/3'
 14	'x-y+1/3, -y+2/3, -z+2/3'
 15	'-x+2/3, -x+y+1/3, -z+1/3'
 16	'-x+1/3, -x+y+2/3, -z+2/3'
 17	'y+2/3, x+1/3, -z+1/3'
 18	'y+1/3, x+2/3, -z+2/3'
 19	'x-y+2/3, x+1/3, -z+1/3'
 20	'x-y+1/3, x+2/3, -z+2/3'
 21	'y+2/3, -x+y+1/3, -z+1/3'
 22	'y+1/3, -x+y+2/3, -z+2/3'
 23	'-x+2/3, -y+1/3, -z+1/3'
 24	'-x+1/3, -y+2/3, -z+2/3'
 25	'-x+y+2/3, y+1/3, z+1/3'
 26	'-x+y+1/3, y+2/3, z+2/3'
 27	'x+2/3, x-y+1/3, z+1/3'
 28	'x+1/3, x-y+2/3, z+2/3'
 29	'-y+2/3, -x+1/3, z+1/3'
 30	'-y+1/3, -x+2/3, z+2/3'
 31	'-x+y+2/3, -x+1/3, z+1/3'
 32	'-x+y+1/3, -x+2/3, z+2/3'
 33	'-y+2/3, x-y+1/3, z+1/3'
 34	'-y+1/3, x-y+2/3, z+2/3'
 35	'x+2/3, y+1/3, z+1/3'
 36	'x+1/3, y+2/3, z+2/3'
loop_
_atom_type_symbol
_atom_type_oxidation_number
I1-	-1
Pb2+	2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
Pb1 Pb2+ 3 a 0 0 0 1. 0 
I1 I1- 6 c 0 0 0.245 1. 0 

#End of data_24265-ICSD


data_24266-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                24266
_audit_creation_date               1980/01/01
_audit_update_record               2007/04/01
_chemical_name_systematic          'Lead Iodide'
_chemical_formula_structural       'Pb I2'
_chemical_formula_sum              'I2 Pb1'
_publ_section_title
;
Structural polytypism of lead iodide and its relationship to screw 
dislocations
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
 1959 111 372 384 ZEKGAX
2 'Acta Crystallographica B (24,1968-38,1982)' 1975 31 1222 1223 ACBCAR
_publ_author_name                  'Mitchell, R.S.'
_cell_length_a                     4.557
_cell_length_b                     4.557
_cell_length_c                     41.87399
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  120.
_cell_volume                       753.07
_cell_formula_units_Z              6
_symmetry_space_group_name_H-M     'R -3 m H'
_symmetry_Int_Tables_number        166
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'x-y, -y, -z'
  2	'-x, -x+y, -z'
  3	'y, x, -z'
  4	'x-y, x, -z'
  5	'y, -x+y, -z'
  6	'-x, -y, -z'
  7	'-x+y, y, z'
  8	'x, x-y, z'
  9	'-y, -x, z'
 10	'-x+y, -x, z'
 11	'-y, x-y, z'
 12	'x, y, z'
 13	'x-y+2/3, -y+1/3, -z+1/3'
 14	'x-y+1/3, -y+2/3, -z+2/3'
 15	'-x+2/3, -x+y+1/3, -z+1/3'
 16	'-x+1/3, -x+y+2/3, -z+2/3'
 17	'y+2/3, x+1/3, -z+1/3'
 18	'y+1/3, x+2/3, -z+2/3'
 19	'x-y+2/3, x+1/3, -z+1/3'
 20	'x-y+1/3, x+2/3, -z+2/3'
 21	'y+2/3, -x+y+1/3, -z+1/3'
 22	'y+1/3, -x+y+2/3, -z+2/3'
 23	'-x+2/3, -y+1/3, -z+1/3'
 24	'-x+1/3, -y+2/3, -z+2/3'
 25	'-x+y+2/3, y+1/3, z+1/3'
 26	'-x+y+1/3, y+2/3, z+2/3'
 27	'x+2/3, x-y+1/3, z+1/3'
 28	'x+1/3, x-y+2/3, z+2/3'
 29	'-y+2/3, -x+1/3, z+1/3'
 30	'-y+1/3, -x+2/3, z+2/3'
 31	'-x+y+2/3, -x+1/3, z+1/3'
 32	'-x+y+1/3, -x+2/3, z+2/3'
 33	'-y+2/3, x-y+1/3, z+1/3'
 34	'-y+1/3, x-y+2/3, z+2/3'
 35	'x+2/3, y+1/3, z+1/3'
 36	'x+1/3, y+2/3, z+2/3'
loop_
_atom_type_symbol
_atom_type_oxidation_number
I1-	-1
Pb2+	2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
Pb1 Pb2+ 3 a 0 0 0 1. 0 
Pb2 Pb2+ 3 b 0 0 0.5 1. 0 
I1 I1- 6 c 0 0 0.123 1. 0 
I2 I1- 6 c 0 0 0.289 1. 0 

#End of data_24266-ICSD


data_30347-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                30347
_audit_creation_date               1980/01/01
_audit_update_record               2006/10/01
_chemical_name_systematic          'Lead Iodide - 2h'
_chemical_formula_structural       'Pb I2'
_chemical_formula_sum              'I2 Pb1'
_publ_section_title
;
On the crystal structure of lead-iodide
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen'
 1926 29 431 442 PKNAAU
2 'Phase Transition' 1992 38 127 220 PHTRDP
_publ_author_name                  'Terpstra, P.;Westenbrink, H.G.K.'
_cell_length_a                     4.59
_cell_length_b                     4.59
_cell_length_c                     6.78
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  120.
_cell_volume                       123.7
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P -3 m 1'
_symmetry_Int_Tables_number        164
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'x-y, -y, -z'
  2	'-x, -x+y, -z'
  3	'y, x, -z'
  4	'x-y, x, -z'
  5	'y, -x+y, -z'
  6	'-x, -y, -z'
  7	'-x+y, y, z'
  8	'x, x-y, z'
  9	'-y, -x, z'
 10	'-x+y, -x, z'
 11	'-y, x-y, z'
 12	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
I1-	-1
Pb2+	2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
Pb1 Pb2+ 1 a 0 0 0 1. 0 
I1 I1- 2 d 0.3333 0.6667 0.2 1. 0 

#End of data_30347-ICSD


data_68819-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                68819
_audit_creation_date               1992/01/20
_audit_update_record               2006/04/01
_chemical_name_systematic          'Lead Iodide'
_chemical_formula_structural       'Pb I2'
_chemical_formula_sum              'I2 Pb1'
_publ_section_title
;
The structure of Pb I2 polytypes 2H and 4H: a study of the 2H - 4H 
transition
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Physics: Condensed Matter' 1990 2 5285 5295 JCOMEL
2 'Phase Transition' 1992 38 127 220 PHTRDP
_publ_author_name                  'Palosz, B.;Steurer, W.;Schulz, H.'
_cell_length_a                     4.5580(5)
_cell_length_b                     4.5580(5)
_cell_length_c                     6.986(3)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  120.
_cell_volume                       125.69
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P -3 m 1'
_symmetry_Int_Tables_number        164
_refine_ls_R_factor_all            0.021
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'x-y, -y, -z'
  2	'-x, -x+y, -z'
  3	'y, x, -z'
  4	'x-y, x, -z'
  5	'y, -x+y, -z'
  6	'-x, -y, -z'
  7	'-x+y, y, z'
  8	'x, x-y, z'
  9	'-y, -x, z'
 10	'-x+y, -x, z'
 11	'-y, x-y, z'
 12	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
I1-	-1
Pb2+	2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
Pb1 Pb2+ 1 a 0 0 0 1. 0 
I1 I1- 2 d 0.3333 0.6667 0.2675(2) 1. 0 

loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pb1 Pb2+ 0.0246(4) 0.0246(4) 0.0486(6) 0.0123 0 0
I1 I1- 0.0305(3) 0.0305(3) 0.0305(7) 0.01525 0 0
#End of data_68819-ICSD


