data_26484-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                26484
_audit_creation_date               1980/01/01
_audit_update_record               2006/04/01
_chemical_name_systematic          'Lead Chromate'
_chemical_formula_structural       'Pb (Cr O4)'
_chemical_formula_sum              'Cr1 O4 Pb1'
_publ_section_title
;
The structure of the orthorhombic modification of lead chromate Pb Cr 
O4
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica (1,1948-23,1967)' 1959 12 416 416 ACCRA9
2 'Golden Book of Phase Transitions, Wroclaw' 2002 1 1 123 GBOPT5
_publ_author_name                  'Collotti, G.;Conti, L.;Zocchi, M.'
_cell_length_a                     8.67(3)
_cell_length_b                     5.59(1)
_cell_length_c                     7.13(2)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       345.56
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n m a'
_symmetry_Int_Tables_number        62
_refine_ls_R_factor_all            0.11
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'x+1/2, y, -z+1/2'
  2	'x, -y+1/2, z'
  3	'-x+1/2, y+1/2, z+1/2'
  4	'-x, -y, -z'
  5	'-x+1/2, -y, z+1/2'
  6	'-x, y+1/2, -z'
  7	'x+1/2, -y+1/2, -z+1/2'
  8	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cr6+	6
O2-	-2
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+ 4 c 0.185 0.25 0.165 1. 0 
Cr1 Cr6+ 4 c 0.085 0.25 0.69 1. 0 
O1 O2- 4 c 0.24 0.25 0.56 1. 0 
O2 O2- 4 c 0.93 0.25 0.56 1. 0 
O3 O2- 8 d 0.085 0.01 0.82 1. 0 

#End of data_26484-ICSD


data_23809-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                23809
_audit_creation_date               1980/01/01
_audit_update_record               2007/04/01
_chemical_name_systematic          'Lead Chromate'
_chemical_formula_structural       'Pb (Cr O4)'
_chemical_formula_sum              'Cr1 O4 Pb1'
_chemical_name_mineral             Crocoite
_publ_section_title
;
A three-dimensional refinement of the structure of crocoite, Pb Cr O4
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica (1,1948-23,1967)' 1965 19 287 289 ACCRA9
2 'Rendiconti della Societa Mineralogica Italiana' 1964 20 235 250 RSMIAP
3 'Phase Transition' 1992 38 127 220 PHTRDP
4
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
 1962 117 259 272 ZEKGAX
_publ_author_name                  'Quareni, S.;de Pieri, R.'
_cell_length_a                     7.12
_cell_length_b                     7.43
_cell_length_c                     6.79
_cell_angle_alpha                  90.
_cell_angle_beta                   102.4
_cell_angle_gamma                  90.
_cell_volume                       350.82
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/n 1'
_symmetry_Int_Tables_number        14
_refine_ls_R_factor_all            0.085
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'-x+1/2, y+1/2, -z+1/2'
  2	'-x, -y, -z'
  3	'x+1/2, -y+1/2, z+1/2'
  4	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cr6+	6
O2-	-2
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+ 4 e 0.2218 0.145 0.3974 1. 0 
Cr1 Cr6+ 4 e 0.2010(5) 0.1651(6) 0.8800(5) 1. 0 
O1 O2- 4 e 0.0354(29) 0.0989(35) 0.6944(30) 1. 0 
O2 O2- 4 e 0.1247(31) 0.3461(30) 0.9869(32) 1. 0 
O3 O2- 4 e 0.2534(31) 0.4982(36) 0.4540(34) 1. 0 
O4 O2- 4 e 0.3887(27) 0.2173(34) 0.7810(29) 1. 0 

#End of data_23809-ICSD


data_24607-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                24607
_audit_creation_date               1980/01/01
_audit_update_record               2003/10/01
_chemical_name_systematic          'Lead Chromate'
_chemical_formula_structural       'Pb (Cr O4)'
_chemical_formula_sum              'Cr1 O4 Pb1'
_chemical_name_mineral             Crocoite
_publ_section_title
;
La struttura della crocoite Pb Cr O4
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Rendiconti della Societa Mineralogica Italiana'
 1964 20 235 250 RSMIAP
2 'Phase Transition' 1992 38 127 220 PHTRDP
_publ_author_name                  'Quareni, S.;de Pieri, R.'
_cell_length_a                     7.12
_cell_length_b                     7.43
_cell_length_c                     6.79
_cell_angle_alpha                  90.
_cell_angle_beta                   102.42
_cell_angle_gamma                  90.
_cell_volume                       350.8
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/n 1'
_symmetry_Int_Tables_number        14
_refine_ls_R_factor_all            0.075
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'-x+1/2, y+1/2, -z+1/2'
  2	'-x, -y, -z'
  3	'x+1/2, -y+1/2, z+1/2'
  4	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cr6+	6
O2-	-2
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
_atom_site_B_iso_or_equiv
Pb1 Pb2+ 4 e 0.2216(2) 0.1453(2) 0.3976(2) 1. 0 0 
Cr1 Cr6+ 4 e 0.2024(14) 0.165(1) 0.8790(16) 1. 0 0.55 
O1 O2- 4 e 0.020(1) 0.098(2) 0.695(2) 1. 0 1.05 
O2 O2- 4 e 0.119(1) 0.336(5) 0.996(3) 1. 0 1.2 
O3 O2- 4 e 0.265(3) 0.493(3) 0.450(5) 1. 0 1.45 
O4 O2- 4 e 0.403(4) 0.218(2) 0.780(1) 1. 0 1.15 

loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_B_11
_atom_site_aniso_B_22
_atom_site_aniso_B_33
_atom_site_aniso_B_12
_atom_site_aniso_B_13
_atom_site_aniso_B_23
Pb1 Pb2+ 0.68 0.91 0.42 0.05 0.39 0.1
#End of data_24607-ICSD


data_28386-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                28386
_audit_creation_date               1980/01/01
_audit_update_record               2003/10/01
_chemical_name_systematic          'Lead Chromate'
_chemical_formula_structural       'Pb (Cr O4)'
_chemical_formula_sum              'Cr1 O4 Pb1'
_chemical_name_mineral             Crocoite
_publ_section_title
;
Die Kristallstruktur des Krokoits, Pb Cr O4
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Chimica Academiae Scientiarum Hungaricae' 1965 40 283 288 ACASA2
2 'Phase Transition' 1992 38 127 220 PHTRDP
_publ_author_name                  'Naray-Szabo, I.;Argay, G.'
_cell_length_a                     7.145(4)
_cell_length_b                     7.436(4)
_cell_length_c                     6.795(4)
_cell_angle_alpha                  90.
_cell_angle_beta                   102.42
_cell_angle_gamma                  90.
_cell_volume                       352.57
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/n 1'
_symmetry_Int_Tables_number        14
_refine_ls_R_factor_all            0.141
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'-x+1/2, y+1/2, -z+1/2'
  2	'-x, -y, -z'
  3	'x+1/2, -y+1/2, z+1/2'
  4	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cr6+	6
O2-	-2
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
_atom_site_B_iso_or_equiv
Pb1 Pb2+ 4 e 0.220(3) 0.150(3) 0.395(3) 1. 0 3. 
Cr1 Cr6+ 4 e 0.206(3) 0.150(3) 0.904(3) 1. 0 3. 
O1 O2- 4 e 0.26(1) 0.99(1) 0.06(1) 1. 0 3. 
O2 O2- 4 e 0.12(1) 0.33(1) 0.03(1) 1. 0 3. 
O3 O2- 4 e 0.05(1) 0.08(1) 0.74(1) 1. 0 3. 
O4 O2- 4 e 0.39(1) 0.22(1) 0.78(1) 1. 0 3. 

#End of data_28386-ICSD


data_40920-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                40920
_audit_creation_date               2000/07/15
_audit_update_record               2007/04/01
_chemical_name_systematic          'Lead Chromate'
_chemical_formula_structural       'Pb (Cr O4)'
_chemical_formula_sum              'Cr1 O4 Pb1'
_chemical_name_mineral             Crocoite
_publ_section_title
;
Four monazite type structures: comparison of Sr Cr O4, Sr Se O4, Pb 
Cr O4 (crocoite), and Pb Se O4
;
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 (149,1979-)' 1986 176 75 83 ZEKRDZ
2 'Phase Transition' 1992 38 127 220 PHTRDP
_publ_author_name                  'Effenberger, H.;Pertlik, F.'
_cell_length_a                     7.127(2)
_cell_length_b                     7.438(2)
_cell_length_c                     6.799(2)
_cell_angle_alpha                  90.
_cell_angle_beta                   102.43(2)
_cell_angle_gamma                  90.
_cell_volume                       351.97
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/n 1'
_symmetry_Int_Tables_number        14
_refine_ls_R_factor_all            0.039
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'-x+1/2, y+1/2, -z+1/2'
  2	'-x, -y, -z'
  3	'x+1/2, -y+1/2, z+1/2'
  4	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cr6+	6
O2-	-2
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+ 4 e 0.22130(4) 0.14545(4) 0.39692(5) 1. 0 
Cr1 Cr6+ 4 e 0.20107(16) 0.16364(16) 0.88184(19) 1. 0 
O1 O2- 4 e 0.2538(11) 0.0042(10) 0.0574(12) 1. 0 
O2 O2- 4 e 0.1245(9) 0.3425(8) 0.9890(12) 1. 0 
O3 O2- 4 e 0.0295(10) 0.0999(9) 0.6858(12) 1. 0 
O4 O2- 4 e 0.3859(8) 0.2141(11) 0.7819(11) 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+ 0.0184(2) 0.0163(2) 0.0152(2) -0.0016(1) 0.0052(1) -0.0011(1)
Cr1 Cr6+ 0.0093(4) 0.0092(5) 0.0088(5) -0.0007(3) 0.0027(4) -0.0014(3)
O1 O2- 0.031(3) 0.018(3) 0.019(3) 0.003(3) 0.006(3) 0.004(3)
O2 O2- 0.017(2) 0.017(3) 0.024(3) 0.001(2) 0.009(2) -0.006(2)
O3 O2- 0.018(2) 0.020(3) 0.022(4) -0.005(2) -0.003(2) -0.001(2)
O4 O2- 0.010(2) 0.029(3) 0.019(3) -0.001(2) 0.006(2) -0.002(3)
#End of data_40920-ICSD


data_91735-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                91735
_audit_creation_date               2002/10/01
_audit_update_record               2006/04/01
_chemical_name_systematic          'Lead Chromate - Ht'
_chemical_formula_structural       'Pb (Cr O4)'
_chemical_formula_sum              'Cr1 O4 Pb1'
_publ_section_title
;
A high temperature structural phase transition in crocoite (Pb Cr O4) 
at 1068 K : crystal structure refinement at 1073 K and thermal 
expansion tensor determination at 1000 K
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_journal_issue
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Mineralogical Magazine (1969-)' 2000 64 2 291 300 MNLMBB
2 'Golden Book of Phase Transitions, Wroclaw' 2002 1- 1 123 GBOPT5
_publ_author_name                  'Knight, K.S.'
_cell_length_a                     8.79861(4)
_cell_length_b                     5.73422(2)
_cell_length_c                     7.27402(3)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       367
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n m a'
_symmetry_Int_Tables_number        62
_refine_ls_R_factor_all            0.011
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'x+1/2, y, -z+1/2'
  2	'x, -y+1/2, z'
  3	'-x+1/2, y+1/2, z+1/2'
  4	'-x, -y, -z'
  5	'-x+1/2, -y, z+1/2'
  6	'-x, y+1/2, -z'
  7	'x+1/2, -y+1/2, -z+1/2'
  8	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cr6+	6
O2-	-2
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
_atom_site_U_iso_or_equiv
Pb1 Pb2+ 4 c 0.1817(3) 0.25 0.1641(4) 1. 0 0.129(3) 
Cr1 Cr6+ 4 c 0.0592(6) 0.25 0.6824(8) 1. 0 0.061(1) 
O1 O2- 4 c 0.1882(5) 0.25 0.5338(6) 1. 0 0.134(4) 
O2 O2- 4 c 0.8897(4) 0.25 0.5974(6) 1. 0 0.147(5) 
O3 O2- 8 d 0.0772(4) 0.0150(6) 0.8121(5) 1. 0 0.128(3) 

#End of data_91735-ICSD


