data_1137-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                1137
_audit_creation_date               1980/01/01
_audit_update_record               2003/04/01
_chemical_name_systematic          'Potassium Chlorate(VII)'
_chemical_formula_structural       'K (Cl O4)'
_chemical_formula_sum              'Cl1 K1 O4'
_publ_section_title                'Potassium perchlorate'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica B (24,1968-38,1982)' 1977 33 2918 2919 ACBCAR
2 'Phase Transition' 1992 38 127 220 PHTRDP
_publ_author_name                  'Johansson, G.B.;Lindqvist, O.'
_cell_length_a                     8.866(2)
_cell_length_b                     5.666(1)
_cell_length_c                     7.254(1)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       364.4
_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            0.031
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
Cl7+	7
K1+	1
O2-	-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
K1 K1+ 4 c 0.1809(1) 0.25 0.3374(1) 1. 0 
Cl1 Cl7+ 4 c 0.0679(1) 0.25 0.8105(1) 1. 0 
O1 O2- 4 c 0.1885(4) 0.25 0.9419(4) 1. 0 
O2 O2- 8 d 0.4197(2) 0.5438(4) 0.1952(3) 1. 0 
O3 O2- 4 c 0.4253(4) 0.25 0.5981(4) 1. 0 

#End of data_1137-ICSD


data_33562-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                33562
_audit_creation_date               1984/10/16
_audit_update_record               2005/10/01
_chemical_name_systematic          'Potassium Chlorate(VII) - Ht'
_chemical_formula_structural       'K (Cl O4)'
_chemical_formula_sum              'Cl1 K1 O4'
_publ_section_title
;
Roentgenographische Strukturerforschung der kubischen Modifikation 
der Perchlorate.
;
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)
;
 1930 75 41 66 ZEKGAX
2
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
 1930 75 538 549 ZEKGAX
_publ_author_name                  'Herrmann, K.;Ilge, W.'
_cell_length_a                     7.485
_cell_length_b                     7.485
_cell_length_c                     7.485
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       419.35
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'F -4 3 m'
_symmetry_Int_Tables_number        216
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'-z, -y, x'
  2	'-y, -x, z'
  3	'-x, -z, y'
  4	'-z, -x, y'
  5	'-y, -z, x'
  6	'-x, -y, z'
  7	'-z, y, -x'
  8	'-y, x, -z'
  9	'-x, z, -y'
 10	'-z, x, -y'
 11	'-y, z, -x'
 12	'-x, y, -z'
 13	'z, -y, -x'
 14	'y, -x, -z'
 15	'x, -z, -y'
 16	'z, -x, -y'
 17	'y, -z, -x'
 18	'x, -y, -z'
 19	'z, y, x'
 20	'y, x, z'
 21	'x, z, y'
 22	'z, x, y'
 23	'y, z, x'
 24	'x, y, z'
 25	'-z, -y+1/2, x+1/2'
 26	'-z+1/2, -y, x+1/2'
 27	'-z+1/2, -y+1/2, x'
 28	'-y, -x+1/2, z+1/2'
 29	'-y+1/2, -x, z+1/2'
 30	'-y+1/2, -x+1/2, z'
 31	'-x, -z+1/2, y+1/2'
 32	'-x+1/2, -z, y+1/2'
 33	'-x+1/2, -z+1/2, y'
 34	'-z, -x+1/2, y+1/2'
 35	'-z+1/2, -x, y+1/2'
 36	'-z+1/2, -x+1/2, y'
 37	'-y, -z+1/2, x+1/2'
 38	'-y+1/2, -z, x+1/2'
 39	'-y+1/2, -z+1/2, x'
 40	'-x, -y+1/2, z+1/2'
 41	'-x+1/2, -y, z+1/2'
 42	'-x+1/2, -y+1/2, z'
 43	'-z, y+1/2, -x+1/2'
 44	'-z+1/2, y, -x+1/2'
 45	'-z+1/2, y+1/2, -x'
 46	'-y, x+1/2, -z+1/2'
 47	'-y+1/2, x, -z+1/2'
 48	'-y+1/2, x+1/2, -z'
 49	'-x, z+1/2, -y+1/2'
 50	'-x+1/2, z, -y+1/2'
 51	'-x+1/2, z+1/2, -y'
 52	'-z, x+1/2, -y+1/2'
 53	'-z+1/2, x, -y+1/2'
 54	'-z+1/2, x+1/2, -y'
 55	'-y, z+1/2, -x+1/2'
 56	'-y+1/2, z, -x+1/2'
 57	'-y+1/2, z+1/2, -x'
 58	'-x, y+1/2, -z+1/2'
 59	'-x+1/2, y, -z+1/2'
 60	'-x+1/2, y+1/2, -z'
 61	'z, -y+1/2, -x+1/2'
 62	'z+1/2, -y, -x+1/2'
 63	'z+1/2, -y+1/2, -x'
 64	'y, -x+1/2, -z+1/2'
 65	'y+1/2, -x, -z+1/2'
 66	'y+1/2, -x+1/2, -z'
 67	'x, -z+1/2, -y+1/2'
 68	'x+1/2, -z, -y+1/2'
 69	'x+1/2, -z+1/2, -y'
 70	'z, -x+1/2, -y+1/2'
 71	'z+1/2, -x, -y+1/2'
 72	'z+1/2, -x+1/2, -y'
 73	'y, -z+1/2, -x+1/2'
 74	'y+1/2, -z, -x+1/2'
 75	'y+1/2, -z+1/2, -x'
 76	'x, -y+1/2, -z+1/2'
 77	'x+1/2, -y, -z+1/2'
 78	'x+1/2, -y+1/2, -z'
 79	'z, y+1/2, x+1/2'
 80	'z+1/2, y, x+1/2'
 81	'z+1/2, y+1/2, x'
 82	'y, x+1/2, z+1/2'
 83	'y+1/2, x, z+1/2'
 84	'y+1/2, x+1/2, z'
 85	'x, z+1/2, y+1/2'
 86	'x+1/2, z, y+1/2'
 87	'x+1/2, z+1/2, y'
 88	'z, x+1/2, y+1/2'
 89	'z+1/2, x, y+1/2'
 90	'z+1/2, x+1/2, y'
 91	'y, z+1/2, x+1/2'
 92	'y+1/2, z, x+1/2'
 93	'y+1/2, z+1/2, x'
 94	'x, y+1/2, z+1/2'
 95	'x+1/2, y, z+1/2'
 96	'x+1/2, y+1/2, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cl7+	7
K1+	1
O2-	-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
K1 K1+ 4 b 0.5 0 0 1. 0 
Cl1 Cl7+ 4 a 0 0 0 1. 0 
O1 O2- 16 e 0.123(4) 0.123(4) 0.123(4) 1. 0 

#End of data_33562-ICSD


data_35111-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                35111
_audit_creation_date               1982/12/31
_audit_update_record               2006/04/01
_chemical_name_systematic          'Potassium Chlorate(VII)'
_chemical_formula_structural       'K (Cl O4)'
_chemical_formula_sum              'Cl1 K1 O4'
_publ_section_title
;
Deformation density in complex anions. III .Potassium perchlorate
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica B (24,1968-38,1982)' 1982 38 2116 2120 ACBCAR
2 'Golden Book of Phase Transitions, Wroclaw' 2002 1 1 123 GBOPT5
_publ_author_name                  'Bats, J.W.;Fuess, H.'
_cell_length_a                     8.765(1)
_cell_length_b                     5.620(1)
_cell_length_c                     7.205(1)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       354.91
_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            0.03
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
Cl7+	7
K1+	1
O2-	-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
K1 K1+ 4 c 0.18038(14) 0.25 0.33865(16) 1. 0 0.0107(5) 
Cl1 Cl7+ 4 c 0.06954(5) 0.25 0.81160(6) 1. 0 0.00864(17) 
O1 O2- 4 c 0.19372(10) 0.25 0.94289(10) 1. 0 0.0154(4) 
O2 O2- 8 d 0.08098(7) 0.04086(8) 0.69491(8) 1. 0 0.0156(2) 
O3 O2- 4 c -.07410(11) 0.25 0.90607(12) 1. 0 0.0126(4) 

#End of data_35111-ICSD


data_36152-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                36152
_audit_creation_date               1980/01/01
_audit_update_record               2006/04/01
_chemical_name_systematic          'Potassium Chlorate(VII)'
_chemical_formula_structural       'K (Cl O4)'
_chemical_formula_sum              'Cl1 K1 O4'
_publ_section_title
;
Die Struktur von Kalium- und Ammoniumperchlorat
;
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)
;
 1932 84 65 73 ZEKGAX
2 'Golden Book of Phase Transitions, Wroclaw' 2002 1 1 123 GBOPT5
_publ_author_name                  'Gottfried, C.;Schusterius, C.'
_cell_length_a                     8.834
_cell_length_b                     5.65
_cell_length_c                     7.24
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       361.36
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n m a'
_symmetry_Int_Tables_number        62
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
Cl7+	7
K1+	1
O2-	-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
O1 O2- 4 c 0.175 0.25 0.05 1. 0 
O2 O2- 4 c 0.078 0.25 0.106 1. 0 
O3 O2- 8 d 0.083 0.042 0.181 1. 0 
Cl1 Cl7+ 4 c 0.075 0.25 0.189 1. 0 
K1 K1+ 4 c 0.192 0.25 0.167 1. 0 

#End of data_36152-ICSD


data_36317-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                36317
_audit_creation_date               1980/01/01
_audit_update_record               2006/04/01
_chemical_name_systematic          'Potassium Chlorate(VII)'
_chemical_formula_structural       'K (Cl O4)'
_chemical_formula_sum              'Cl1 K1 O4'
_publ_section_title
;
The crystal structure of potassium perchlorate K Cl O4
;
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 Indian Academy of Sciences. Section A'
 1957 46 143 151 PISAA7
2 'Golden Book of Phase Transitions, Wroclaw' 2002 1 1 123 GBOPT5
_publ_author_name                  'Mani, N.V.'
_cell_length_a                     8.83
_cell_length_b                     5.65
_cell_length_c                     7.24
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       361.2
_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            0.145
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
Cl7+	7
K1+	1
O2-	-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
K1 K1+ 4 c 0.183 0.75 0.158 1. 0 
Cl1 Cl7+ 4 c 0.433 0.25 0.192 1. 0 
O1 O2- 4 c 0.321 0.25 0.046 1. 0 
O2 O2- 4 c 0.583 0.25 0.108 1. 0 
O3 O2- 8 d 0.417 0.037 0.308 1. 0 

#End of data_36317-ICSD


data_51727-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                51727
_audit_creation_date               2003/10/01
_audit_update_record               2006/04/01
_chemical_name_systematic          'Potassium Chlorate(VII)'
_chemical_formula_structural       'K (Cl O4)'
_chemical_formula_sum              'Cl1 K1 O4'
_publ_section_title
;
Order-disorder structural phase transitions in alkali perchlorates
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Solid State Chemistry' 2002 163 294 299 JSSCBI
2 'Golden Book of Phase Transitions, Wroclaw' 2002 1 1 123 GBOPT5
_publ_author_name
;
Liu, J.;Duan, C.-G.;Mei, W.N.;Smith, R.W.;Hardy, J.R.
;
_cell_length_a                     8.2756
_cell_length_b                     5.7270
_cell_length_c                     7.0410
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       333.7
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n m a'
_symmetry_Int_Tables_number        62
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
Cl7+	7
K1+	1
O2-	-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
K1 K1+ 4 c 0.1748 0.25 0.3407 1. 0 
Cl1 Cl7+ 4 c 0.0611 0.25 0.8234 1. 0 
O1 O2- 4 c 0.1904 0.25 0.9610 1. 0 
O2 O2- 4 c -.0926 0.25 0.9206 1. 0 
O3 O2- 8 d 0.0729 0.0435 0.7060 1. 0 

#End of data_51727-ICSD


data_413444-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                413444
_audit_creation_date               2005/10/01
_chemical_name_systematic          'Potassium Perchlorate'
_chemical_formula_structural       'K Cl O4'
_chemical_formula_sum              'Cl1 K1 O4'
_publ_section_title
;
An experimental (120 K) and theoretical electron-density study of 
KMnO4 and KClO4
;
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 (39,1983-)' 2004 60 494 501 ACACEQ
_publ_author_name
;
Marabello, D.;Bianchi, R.;Gervasio, G.;Cargnoni, F.
;
_cell_length_a                     8.7684(3)
_cell_length_b                     5.6237(2)
_cell_length_c                     7.2039(3)
_cell_angle_alpha                  90.00
_cell_angle_beta                   90.00
_cell_angle_gamma                  90.00
_cell_volume                       355.23
_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            0.0161
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
Cl7+	7
K1+	1
O2-	-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
K1 K1+ 4 c 0.31965 0.250000 0.66139 1.0 0 
Cl1 Cl7+ 4 c 0.43049 0.250000 0.18838 1.0 0 
O1 O2- 4 c 0.3060 0.250000 0.0571 1.0 0 
O2 O2- 4 c 0.5746 0.250000 0.0939 1.0 0 
O3 O2- 8 d 0.41911 0.0406 0.3056 1.0 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
K1 K1+ 0.01024 0.01461 0.01239 0.00000 -0.00033 0.00000
Cl1 Cl7+ 0.00852 0.00966 0.00890 0.00000 0.00012 0.00000
O1 O2- 0.0127 0.0241 0.0207 0.00000 -0.0082 0.00000
O2 O2- 0.0152 0.0180 0.0125 0.00000 -0.0057 0.00000
O3 O2- 0.0159 0.0112 0.0144 -0.0001 -0.0012 0.0036
#End of data_413444-ICSD


data_170089-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                170089
_audit_creation_date               2005/10/01
_chemical_name_systematic          'Potassium Chlorate(VII)'
_chemical_formula_structural       'K Cl O4'
_chemical_formula_sum              'Cl1 K1 O4'
_publ_section_title
;
An experimental (120 K) and theoretical electron-density study of K 
Mn O4 and K Cl 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 A (39,1983-)' 2004 60 494 501 ACACEQ
_publ_author_name
;
Marabello, D.;Bianchi, R.;Gervasio, G.;Cargnoni, F.
;
_cell_length_a                     8.7684(3)
_cell_length_b                     5.6237(2)
_cell_length_c                     7.2039(3)
_cell_angle_alpha                  90.00
_cell_angle_beta                   90.00
_cell_angle_gamma                  90.00
_cell_volume                       355.23
_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            0.0161
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
Cl7+	7
K1+	1
O2-	-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
K1 K1+ 4 c 0.31965 0.250000 0.66139 1. 0 
Cl1 Cl7+ 4 c 0.43049 0.250000 0.18838 1. 0 
O1 O2- 4 c 0.3060 0.250000 0.0571 1. 0 
O2 O2- 4 c 0.5746 0.250000 0.0939 1. 0 
O3 O2- 8 d 0.41911 0.0406 0.3056 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
K1 K1+ 0.01024 0.01461 0.01239 0.00000 -0.00033 0.00000
Cl1 Cl7+ 0.00852 0.00966 0.00890 0.00000 0.00012 0.00000
O1 O2- 0.0127 0.0241 0.0207 0.00000 -0.0082 0.00000
O2 O2- 0.0152 0.0180 0.0125 0.00000 -0.0057 0.00000
O3 O2- 0.0159 0.0112 0.0144 -0.0001 -0.0012 0.0036
#End of data_170089-ICSD


