data_633-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                633
_audit_creation_date               1980/01/01
_audit_update_record               2003/04/01
_chemical_name_systematic          'Ammonium Chlorate(VII)'
_chemical_formula_structural       '(N H4) (Cl O4)'
_chemical_formula_sum              'H4 Cl1 N1 O4'
_publ_section_title
;
Ammonium perchlorate: Reinvestigation of the crystal structure at 298 
K
;
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)' 1976 32 2919 2920 ACBCAR
2 'Phase Transition' 1992 38 127 220 PHTRDP
_publ_author_name                  'Choi, C.S.;Prask, H.J.'
_cell_length_a                     9.227
_cell_length_b                     5.819
_cell_length_c                     7.454
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       400.22
_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            0.048
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
H1+	1
N3-	-3
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
Cl1 Cl7+ 4 c 0.4318(1) 0.25 0.1916(1) 1. 0 
O1 O2- 4 c 0.3142(3) 0.25 0.0664(4) 1. 0 
O2 O2- 4 c 0.5680(3) 0.25 0.1019(5) 1. 0 
O3 O2- 8 d 0.4203(2) 0.0487(2) 0.3036(3) 1. 0 
N1 N3- 4 c 0.3191(2) 0.25 0.6645(5) 1. 0 
#Position of 16 Elements of H Are Undetermined.
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
Cl1 Cl7+ 0.0289(3) 0.0286(3) 0.0989(7) 0 0.0013(3) 0
O1 O2- 0.0540(13) 0.0522(13) 0.1059 0 -0.0169(14) 0
O2 O2- 0.0444(12) 0.0699(17) 0.1351(26) 0 0.0248(15) 0
O3 O2- 0.0485(8) 0.0324(6) 0.1171(15) 0.0012(6) -0.0033(9) 0.0101(8)
N1 N3- 0.0323(10) 0.0366(11) 0.1058(23) 0.0003 0.0025(13) 0
#End of data_633-ICSD


data_1946-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                1946
_audit_creation_date               1980/01/01
_audit_update_record               2003/04/01
_chemical_name_systematic          'Ammonium Chlorate(VII)'
_chemical_formula_structural       '(N H4) (Cl O4)'
_chemical_formula_sum              'H4 Cl1 N1 O4'
_publ_section_title
;
A three dimensional x-ray redetermination of the crystal structure of 
ammonium 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)' 1975 31 2052 2056 ACBCAR
2 'Phase Transition' 1992 38 127 220 PHTRDP
_publ_author_name                  'Peyronel, G.;Pignedoli, A.'
_cell_length_a                     9.227
_cell_length_b                     7.454
_cell_length_c                     5.819
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       400.22
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n a 21'
_symmetry_Int_Tables_number        33
_refine_ls_R_factor_all            0.05
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'x+1/2, -y+1/2, z'
  2	'-x+1/2, y+1/2, z+1/2'
  3	'-x, -y, z+1/2'
  4	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cl7+	7
H1+	1
N3-	-3
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
Cl1 Cl7+ 4 a 0.43199(5) 0.30821(6) 0.25082(33) 1. 0 
O1 O2- 4 a 0.42064(31) 0.19487(36) 0.45055(45) 1. 0 
O2 O2- 4 a 0.42004(26) 0.19440(31) 0.04628(55) 1. 0 
O3 O2- 4 a 0.56815(20) 0.39857(41) 0.25745(93) 1. 0 
O4 O2- 4 a 0.31487(23) 0.43483(26) 0.24550(63) 1. 0 
N1 N3- 4 a 0.18094(22) 0.33411(25) -.24876(87) 1. 4 
#Position of 16 Elements of H Are Undetermined.
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
Cl1 Cl7+ 2.090(15) 7.247(15) 2.115(16) -.110(11) 0.092(46) 0.211(34)
O1 O2- 4.63(13) 9.19(11) 1.678(79) 0.389(79) -.178(72) 0.487(66)
O2 O2- 3.207(88) 8.271(88) 3.52(12) 0.132(58) -.040(74) -.905(77)
O3 O2- 3.359(78) 10.62(11) 5.63(14) -1.990(73) 0.66(16) -0.79(28)
O4 O2- 4.179(77) 7.993(64) 4.136(92) 1.116(58) -1.22(15) -0.04(14)
N1 N3- 2.505(66) 7.819(67) 3.109(83) 0.116(51) -1.11(16) 0.06(17)
#End of data_1946-ICSD


data_6241-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                6241
_audit_creation_date               1980/01/01
_audit_update_record               2007/04/01
_chemical_name_systematic          'Ammonium Chlorate(VII)'
_chemical_formula_structural       '(N H4) (Cl O4)'
_chemical_formula_sum              'H4 Cl1 N1 O4'
_publ_section_title
;
Crystal structure of N H4 Cl O4 at 298, 78, and 10 K by neutron 
diffraction
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Chemical Physics' 1974 61 3523 3529 JCPSA6
_publ_author_name                  'Choi, C.S.;Prask, H.J.'
_cell_length_a                     8.94
_cell_length_b                     5.89
_cell_length_c                     7.3
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       384.39
_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            0.041
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
H1+	1
N3-	-3
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
Cl1 Cl7+ 4 c 0.4246(2) 0.25 0.1931(2) 1. 0 
O1 O2- 4 c 0.2941(3) 0.25 0.0757(3) 1. 0 
O2 O2- 4 c 0.5584(3) 0.25 0.0838(3) 1. 0 
O3 O2- 8 d 0.4212(2) 0.0506(3) 0.3085(2) 1. 0 
N1 N3- 4 c 0.3184(2) 0.25 0.6727(2) 1. 0 
H1 H1+ 4 c 0.2187(8) 0.25 0.6194 1. 0 
H2 H1+ 4 c 0.3069(8) 0.25 0.8112(8) 1. 0 
H3 H1+ 8 d 0.3757(7) 0.3845(10) 0.6314(8) 1. 0 

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
Cl1 Cl7+ 0.63(9) 1.00(9) 0.64(8) 0 0.06(4) 0
O1 O2- 0.70(12) 1.01(11) 0.73(10) 0 -.20(7) 0
O2 O2- 0.59(12) 1.54(12) 0.87(10) 0 0.16(7) 0
O3 O2- 0.89(9) 0.69(10) 0.76(9) -.02(5) -.02(4) 0.05(5)
N1 N3- 0.97(11) 0.98(10) 0.8(1) 0 0.00(5) 0
H1 H1+ 2.09(32) 9.50(65) 4.52(35) 0 -.90(28) 0
H2 H1+ 3.81(31) 5.72(41) 1.79(35) 0 0.36(18) 0
H3 H1+ 5.71(26) 3.28(27) 5.31(25) -1.60(22) 2.65(21) 0.02(18)
#End of data_6241-ICSD


data_8042-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                8042
_audit_creation_date               1980/01/01
_audit_update_record               2006/04/01
_chemical_name_systematic          'Ammonium Chlorate(VII)'
_chemical_formula_structural       '(N H4) (Cl O4)'
_chemical_formula_sum              'H4 Cl1 N1 O4'
_publ_section_title
;
X-ray structure of ammonium perchlorate. I. X-ray data collection and 
estimation of variances of the intensities II. Conventional 
refinement versus refinement with multipole deformation density 
functions
;
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)' 1979 35 1023 1033 ACBCAR
2 'Golden Book of Phase Transitions, Wroclaw' 2002 1 1 123 GBOPT5
_publ_author_name                  'Lundgren, J.O.;Liminga, R.'
_cell_length_a                     9.2250(3)
_cell_length_b                     5.8154(3)
_cell_length_c                     7.4560(3)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       399.99
_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            0.0147
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
H1+	1
N3-	-3
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
Cl1 Cl7+ 4 c 0.43210(4) 0.25 0.69179(5) 1. 0 
O1 O2- 8 d 0.41945(12) 0.45229(17) 0.80506(17) 1. 0 
O2 O2- 4 c 0.56942(26) 0.25 0.60268(35) 1. 0 
O3 O2- 4 c 0.31345(22) 0.25 0.56565(21) 1. 0 
N1 N3- 4 c 0.18103(14) 0.75 0.66565(16) 1. 4 
#Position of 16 Elements of H Are Undetermined.
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
Cl1 Cl7+ 0.02837(12) 0.02935(12) 0.02547(9) 0 0.00104(11) 0
O1 O2- 0.04874(31) 0.03272(33) 0.04134(28) -0.00137(22) -0.00291(29) 
-0.00883(27)
O2 O2- 0.04216(59) 0.07291(79) 0.06520(72) 0 0.02589(62) 0
O3 O2- 0.05344(62) 0.05334(56) 0.0338(4) 0 -0.01640(45) 0
N1 N3- 0.03094(37) 0.03577(42) 0.0315(4) 0 -0.00203(29) 0
#End of data_8042-ICSD


data_23931-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                23931
_audit_creation_date               1980/01/01
_audit_update_record               2007/04/01
_chemical_name_systematic          'Ammonium Chlorate(VII)'
_chemical_formula_structural       '(N H4) (Cl O4)'
_chemical_formula_sum              'H4 Cl1 N1 O4'
_publ_section_title
;
Neutron diffraction study of ammonium 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 (1,1948-23,1967)' 1962 15 1201 1206 ACCRA9
2 'Journal of Chemical Physics' 1974 61 3523 3529 JCPSA6
_publ_author_name                  'Smith, H.G.;Levy, H.A.'
_cell_length_a                     9.2
_cell_length_b                     5.82
_cell_length_c                     7.45
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       398.9
_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            0.08
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
H1+	1
N3-	-3
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
N1 N3- 4 c 0.182(1) 0.75 0.166(1) 1. 4 
Cl1 Cl7+ 4 c 0.432(1) 0.25 0.193(1) 1. 0 
O1 O2- 4 c 0.314(2) 0.25 0.061(1) 1. 0 
O2 O2- 4 c 0.570(1) 0.25 0.107(2) 1. 0 
O3 O2- 8 d 0.418(1) 0.053(2) 0.303(1) 1. 0 
#Position of 16 Elements of H Are Undetermined.
#End of data_23931-ICSD


data_30564-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                30564
_audit_creation_date               1980/01/01
_chemical_name_systematic          'Ammonium Chlorate(VII)'
_chemical_formula_structural       '(N H4) Cl O4'
_chemical_formula_sum              'H4 Cl1 N1 O4'
_publ_section_title
;
X-Ray Structure of Ammonium Perchlorate. II. Conventional Refinement 
versus Refinement with Multipole Deformation Density Functions
;
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)' 1979 35 1027 1033 ACBCAR
2 'Acta Crystallographica B (24,1968-38,1982)' 1979 35 1023 1027 ACBCAR
_publ_author_name                  'Lundgren, J.O.'
_cell_length_a                     9.2250(3)
_cell_length_b                     5.8154(3)
_cell_length_c                     7.4560(3)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       399.99
_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            0.028
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
H1+	1
N3-	-3
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
Cl1 Cl7+ 4 c 0.43192(4) 0.25 0.69168(5) 1. 0 
O1 O2- 8 d 0.42033(9) 0.45113(15) 0.80365(11) 1. 0 
O2 O2- 4 c 0.56795(15) 0.25 0.60191(21) 1. 0 
O3 O2- 4 c 0.31490(15) 0.25 0.56563(16) 1. 0 
N1 N3- 4 c 0.18074(15) 0.75 0.66618(17) 1. 0 
#Position of 16 Elements of H Are Undetermined.
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
Cl1 Cl7+ 0.02883(19) 0.02969(20) 0.02563(17) 0 0.00109(16) 0
O1 O2- 0.04850(53) 0.03219(46) 0.04174(48) -.00091(35) -.00267(43) 
-.00936(36)
O2 O2- 0.04166(80) 0.0701(10) 0.06324(95) 0 0.02534(73) 0
O3 O2- 0.0543(84) 0.05274(82) 0.03425(65) 0 -.01752(63) 0
N1 N3- 0.03254(72) 0.03772(78) 0.03256(71) 0 -.00100(57) 0
#End of data_30564-ICSD


data_33563-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                33563
_audit_creation_date               1984/10/16
_audit_update_record               2005/10/01
_chemical_name_systematic          'Ammonium Chlorate(VII)'
_chemical_formula_structural       '(N H4) (Cl O4)'
_chemical_formula_sum              'H4 Cl1 N1 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                     7.645
_cell_length_b                     7.645
_cell_length_c                     7.645
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       446.82
_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
H1+	1
N3-	-3
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
N1 N3- 4 b 0.5 0 0 1. 4 
Cl1 Cl7+ 4 a 0 0 0 1. 0 
O1 O2- 16 e 0.127(4) 0.127(4) 0.127(4) 1. 0 
#Position of 16 Elements of H Are Undetermined.
#End of data_33563-ICSD


data_36153-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                36153
_audit_creation_date               1980/01/01
_audit_update_record               2005/10/01
_chemical_name_systematic          'Ammonium Chlorate(VII)'
_chemical_formula_structural       '(N H4) (Cl O4)'
_chemical_formula_sum              'H4 Cl1 N1 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
_publ_author_name                  'Gottfried, C.;Schusterius, C.'
_cell_length_a                     9.202(6)
_cell_length_b                     5.815(4)
_cell_length_c                     7.449(5)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       398.59
_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
H1+	1
N3-	-3
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 0.169 0.25 0.05 1. 0 
O2 O2- 4 c 0.078 0.25 0.1 1. 0 
O3 O2- 8 d 0.075 0.042 0.181 1. 0 
Cl1 Cl7+ 4 c 0.067 0.25 0.194 1. 0 
N1 N3- 4 c 0.197 0.25 0.172 1. 4 
#Position of 16 Elements of H Are Undetermined.
#End of data_36153-ICSD


data_36318-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                36318
_audit_creation_date               1980/01/01
_audit_update_record               1985/06/11
_chemical_name_systematic          'Ammonium Chlorate(VII)'
_chemical_formula_structural       'N H4 Cl O4'
_chemical_formula_sum              'H4 Cl1 N1 O4'
_publ_section_title
;
Crystal structure of Ammonium perchlorate N H4 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 46 134 143 PISAA7
_publ_author_name                  'Venkatesan, K.'
_cell_length_a                     9.13
_cell_length_b                     5.79
_cell_length_c                     7.47
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       394.88
_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
H1+	1
N3-	-3
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
Cl1 Cl7+ 4 c 0.433 0.25 0.192 1. 0 
N1 N3- 4 c 0.183 -.25 0.167 1. 0 
O1 O2- 4 c 0.321 0.25 0.054 1. 0 
O2 O2- 4 c 0.575 0.25 0.096 1. 0 
O3 O2- 8 d 0.421 0.044 0.3 1. 0 
H1 H1+ 4 c 0.242 -.25 0.075 1. 0 
H2 H1+ 4 c 0.225 -.25 0.275 1. 0 
H3 H1+ 8 d 0.117 0.896 0.183 1. 0 

#End of data_36318-ICSD


