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|
data_1008731_molecule_0
loop_
_publ_author_name
'Asbrand, M'
'Eisenmann, B'
'Klein, J'
_publ_section_title
;
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung
und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2
As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first 576
_journal_page_last 582
_journal_volume 621
_journal_year 1995
_[local]_cod_src_chemical_formula_structural 'Na (Sn2 As2)'
_[local]_cod_src_chemical_formula_sum 'As2 Na Sn2'
_[local]_cod_src_chemical_name_systematic 'Sodium diarsenidodistannate'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_length_a 4.006(2)
_cell_length_b 4.006(2)
_cell_length_c 27.58099(500)
_[local]_cod_src_refine_ls_R_factor_all 0.036
_audit_creation_method
'Id: cif_molecule 10429 2024-12-08 20:59:31Z Yaroslav_Rozdobudko'
_chemical_formula_sum 'As Sn'
_cod_data_source_file 1008731.cif
_cod_data_source_block 1008731
_cell_formula_units_Z 1
_space_group_name_H-M_alt 'P 1'
_cod_molecule_space_group_IT_number 166
_cod_molecule_is_polymer yes
_cod_molecule_polymer_dimension 2
_cod_molecule_polymer_basis '1;0;0 0;1;0'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
Sn2+ 2.000
As2- -2.500
loop_
_space_group_symop_operation_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_calc_flag
Sn1 Sn2+ 0.000000 0.000000 0.210300 1. d
As1_25_445 As2- -0.666667 -0.333333 0.259267 1. d
loop_
_cod_molecule_atom_label
_cod_molecule_atom_orig_label
_cod_molecule_atom_symmetry
_cod_molecule_atom_symop_id
_cod_molecule_atom_symop_xyz
_cod_molecule_atom_transl_id
_cod_molecule_atom_transl_x
_cod_molecule_atom_transl_y
_cod_molecule_atom_transl_z
_cod_molecule_atom_mult
_cod_molecule_atom_mult_ratio
Sn1 Sn1 1_555 1 x,y,z 555 0 0 0 6 6
As1_25_445 As1 25_445 25 -x+1/3,-y+2/3,-z+2/3 445 -1 -1 0 6 6
loop_
_cod_molecule_transform_label
_cod_molecule_transform_symop
Sn1 -y,x-y,z
Sn1 -x+y,-x,z
Sn1 -y,-x,z
Sn1 x,x-y,z
Sn1 -x+y,y,z
As1_25_445 -y,x-y,z
As1_25_445 -x+y,-x,z
As1_25_445 -y,-x,z
As1_25_445 x,x-y,z
As1_25_445 -x+y,y,z
loop_
_topol_net.id
_topol_net.label
4 Net4
loop_
_topol_node.id
_topol_node.net_id
1 4
2 4
loop_
_topol_link.id
_topol_link.net_id
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
1 4 2 1 1 0 0 0
2 4 2 1 1 1 0 0
3 4 2 1 1 1 1 0
loop_
_topol_atom.id
_topol_atom.atom_label
_topol_atom.node_id
_topol_atom.element_symbol
1 As1_25_445 1 As
2 Sn1 2 Sn
data_1008731_molecule_1
loop_
_publ_author_name
'Asbrand, M'
'Eisenmann, B'
'Klein, J'
_publ_section_title
;
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung
und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2
As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first 576
_journal_page_last 582
_journal_volume 621
_journal_year 1995
_[local]_cod_src_chemical_formula_structural 'Na (Sn2 As2)'
_[local]_cod_src_chemical_formula_sum 'As2 Na Sn2'
_[local]_cod_src_chemical_name_systematic 'Sodium diarsenidodistannate'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_length_a 4.006(2)
_cell_length_b 4.006(2)
_cell_length_c 27.58099(500)
_[local]_cod_src_refine_ls_R_factor_all 0.036
_audit_creation_method
'Id: cif_molecule 10429 2024-12-08 20:59:31Z Yaroslav_Rozdobudko'
_chemical_formula_sum 'As Sn'
_cod_data_source_file 1008731.cif
_cod_data_source_block 1008731
_cell_formula_units_Z 1
_space_group_name_H-M_alt 'P 1'
_cod_molecule_space_group_IT_number 166
_cod_molecule_is_polymer yes
_cod_molecule_polymer_dimension 2
_cod_molecule_polymer_basis '1;0;0 0;1;0'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
Sn2+ 2.000
As2- -2.500
loop_
_space_group_symop_operation_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_calc_flag
Sn1_7_555 Sn2+ 0.000000 0.000000 0.789700 1. d
As1_14_455 As2- -0.333333 0.333333 0.740733 1. d
loop_
_cod_molecule_atom_label
_cod_molecule_atom_orig_label
_cod_molecule_atom_symmetry
_cod_molecule_atom_symop_id
_cod_molecule_atom_symop_xyz
_cod_molecule_atom_transl_id
_cod_molecule_atom_transl_x
_cod_molecule_atom_transl_y
_cod_molecule_atom_transl_z
_cod_molecule_atom_mult
_cod_molecule_atom_mult_ratio
Sn1_7_555 Sn1 7_555 7 -x,-y,-z 555 0 0 0 6 6
As1_14_455 As1 14_455 14 x+2/3,y+1/3,z+1/3 455 -1 0 0 6 6
loop_
_cod_molecule_transform_label
_cod_molecule_transform_symop
Sn1_7_555 -y,x-y,z
Sn1_7_555 -x+y,-x,z
Sn1_7_555 -y,-x,z
Sn1_7_555 x,x-y,z
Sn1_7_555 -x+y,y,z
As1_14_455 -y,x-y,z
As1_14_455 -x+y,-x,z
As1_14_455 -y,-x,z
As1_14_455 x,x-y,z
As1_14_455 -x+y,y,z
loop_
_topol_net.id
_topol_net.label
5 Net5
loop_
_topol_node.id
_topol_node.net_id
1 5
2 5
loop_
_topol_link.id
_topol_link.net_id
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
1 5 2 1 1 0 0 0
2 5 2 1 1 0 -1 0
3 5 2 1 1 1 0 0
loop_
_topol_atom.id
_topol_atom.atom_label
_topol_atom.node_id
_topol_atom.element_symbol
1 As1_14_455 1 As
2 Sn1_7_555 2 Sn
data_1008731_molecule_2
loop_
_publ_author_name
'Asbrand, M'
'Eisenmann, B'
'Klein, J'
_publ_section_title
;
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung
und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2
As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first 576
_journal_page_last 582
_journal_volume 621
_journal_year 1995
_[local]_cod_src_chemical_formula_structural 'Na (Sn2 As2)'
_[local]_cod_src_chemical_formula_sum 'As2 Na Sn2'
_[local]_cod_src_chemical_name_systematic 'Sodium diarsenidodistannate'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_length_a 4.006(2)
_cell_length_b 4.006(2)
_cell_length_c 27.58099(500)
_[local]_cod_src_refine_ls_R_factor_all 0.036
_audit_creation_method
'Id: cif_molecule 10429 2024-12-08 20:59:31Z Yaroslav_Rozdobudko'
_chemical_formula_sum 'As Sn'
_cod_data_source_file 1008731.cif
_cod_data_source_block 1008731
_cell_formula_units_Z 1
_space_group_name_H-M_alt 'P 1'
_cod_molecule_space_group_IT_number 166
_cod_molecule_is_polymer yes
_cod_molecule_polymer_dimension 2
_cod_molecule_polymer_basis '1;0;0 0;1;0'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
Sn2+ 2.000
As2- -2.500
loop_
_space_group_symop_operation_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_calc_flag
As1_26_455 As2- -0.333333 0.333333 0.925933 1. d
Sn1_13_555 Sn2+ 0.333333 0.666667 0.876967 1. d
loop_
_cod_molecule_atom_label
_cod_molecule_atom_orig_label
_cod_molecule_atom_symmetry
_cod_molecule_atom_symop_id
_cod_molecule_atom_symop_xyz
_cod_molecule_atom_transl_id
_cod_molecule_atom_transl_x
_cod_molecule_atom_transl_y
_cod_molecule_atom_transl_z
_cod_molecule_atom_mult
_cod_molecule_atom_mult_ratio
As1_26_455 As1 26_455 26 -x+2/3,-y+1/3,-z+1/3 455 -1 0 0 6 6
Sn1_13_555 Sn1 13_555 13 x+1/3,y+2/3,z+2/3 555 0 0 0 6 6
loop_
_cod_molecule_transform_label
_cod_molecule_transform_symop
As1_26_455 -y,x-y,z
As1_26_455 -x+y,-x,z
As1_26_455 -y,-x,z
As1_26_455 x,x-y,z
As1_26_455 -x+y,y,z
Sn1_13_555 -y,x-y,z
Sn1_13_555 -x+y,-x,z
Sn1_13_555 -y,-x,z
Sn1_13_555 x,x-y,z
Sn1_13_555 -x+y,y,z
loop_
_topol_net.id
_topol_net.label
6 Net6
loop_
_topol_node.id
_topol_node.net_id
1 6
2 6
loop_
_topol_link.id
_topol_link.net_id
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
1 6 2 1 1 0 0 0
2 6 2 1 1 1 0 0
3 6 2 1 1 1 1 0
loop_
_topol_atom.id
_topol_atom.atom_label
_topol_atom.node_id
_topol_atom.element_symbol
1 As1_26_455 1 As
2 Sn1_13_555 2 Sn
data_1008731_molecule_3
loop_
_publ_author_name
'Asbrand, M'
'Eisenmann, B'
'Klein, J'
_publ_section_title
;
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung
und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2
As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first 576
_journal_page_last 582
_journal_volume 621
_journal_year 1995
_[local]_cod_src_chemical_formula_structural 'Na (Sn2 As2)'
_[local]_cod_src_chemical_formula_sum 'As2 Na Sn2'
_[local]_cod_src_chemical_name_systematic 'Sodium diarsenidodistannate'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_length_a 4.006(2)
_cell_length_b 4.006(2)
_cell_length_c 27.58099(500)
_[local]_cod_src_refine_ls_R_factor_all 0.036
_audit_creation_method
'Id: cif_molecule 10429 2024-12-08 20:59:31Z Yaroslav_Rozdobudko'
_chemical_formula_sum 'As Sn'
_cod_data_source_file 1008731.cif
_cod_data_source_block 1008731
_cell_formula_units_Z 1
_space_group_name_H-M_alt 'P 1'
_cod_molecule_space_group_IT_number 166
_cod_molecule_is_polymer yes
_cod_molecule_polymer_dimension 2
_cod_molecule_polymer_basis '1;0;0 0;1;0'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
Sn2+ 2.000
As2- -2.500
loop_
_space_group_symop_operation_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_calc_flag
As1_7_555 As2- 0.000000 0.000000 0.592600 1. d
Sn1_14_555 Sn2+ 0.666667 0.333333 0.543633 1. d
loop_
_cod_molecule_atom_label
_cod_molecule_atom_orig_label
_cod_molecule_atom_symmetry
_cod_molecule_atom_symop_id
_cod_molecule_atom_symop_xyz
_cod_molecule_atom_transl_id
_cod_molecule_atom_transl_x
_cod_molecule_atom_transl_y
_cod_molecule_atom_transl_z
_cod_molecule_atom_mult
_cod_molecule_atom_mult_ratio
As1_7_555 As1 7_555 7 -x,-y,-z 555 0 0 0 6 6
Sn1_14_555 Sn1 14_555 14 x+2/3,y+1/3,z+1/3 555 0 0 0 6 6
loop_
_cod_molecule_transform_label
_cod_molecule_transform_symop
As1_7_555 -y,x-y,z
As1_7_555 -x+y,-x,z
As1_7_555 -y,-x,z
As1_7_555 x,x-y,z
As1_7_555 -x+y,y,z
Sn1_14_555 -y,x-y,z
Sn1_14_555 -x+y,-x,z
Sn1_14_555 -y,-x,z
Sn1_14_555 x,x-y,z
Sn1_14_555 -x+y,y,z
loop_
_topol_net.id
_topol_net.label
7 Net7
loop_
_topol_node.id
_topol_node.net_id
1 7
2 7
loop_
_topol_link.id
_topol_link.net_id
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
1 7 2 1 1 0 0 0
2 7 2 1 1 1 1 0
3 7 2 1 1 1 0 0
loop_
_topol_atom.id
_topol_atom.atom_label
_topol_atom.node_id
_topol_atom.element_symbol
1 As1_7_555 1 As
2 Sn1_14_555 2 Sn
data_1008731_molecule_4
loop_
_publ_author_name
'Asbrand, M'
'Eisenmann, B'
'Klein, J'
_publ_section_title
;
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung
und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2
As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first 576
_journal_page_last 582
_journal_volume 621
_journal_year 1995
_[local]_cod_src_chemical_formula_structural 'Na (Sn2 As2)'
_[local]_cod_src_chemical_formula_sum 'As2 Na Sn2'
_[local]_cod_src_chemical_name_systematic 'Sodium diarsenidodistannate'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_length_a 4.006(2)
_cell_length_b 4.006(2)
_cell_length_c 27.58099(500)
_[local]_cod_src_refine_ls_R_factor_all 0.036
_audit_creation_method
'Id: cif_molecule 10429 2024-12-08 20:59:31Z Yaroslav_Rozdobudko'
_chemical_formula_sum 'As Sn'
_cod_data_source_file 1008731.cif
_cod_data_source_block 1008731
_cell_formula_units_Z 1
_space_group_name_H-M_alt 'P 1'
_cod_molecule_space_group_IT_number 166
_cod_molecule_is_polymer yes
_cod_molecule_polymer_dimension 2
_cod_molecule_polymer_basis '1;0;0 0;1;0'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
Sn2+ 2.000
As2- -2.500
loop_
_space_group_symop_operation_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_calc_flag
As1_1_565 As2- 0.000000 1.000000 0.407400 1. d
Sn1_25_555 Sn2+ 0.333333 0.666667 0.456367 1. d
loop_
_cod_molecule_atom_label
_cod_molecule_atom_orig_label
_cod_molecule_atom_symmetry
_cod_molecule_atom_symop_id
_cod_molecule_atom_symop_xyz
_cod_molecule_atom_transl_id
_cod_molecule_atom_transl_x
_cod_molecule_atom_transl_y
_cod_molecule_atom_transl_z
_cod_molecule_atom_mult
_cod_molecule_atom_mult_ratio
As1_1_565 As1 1_565 1 x,y,z 565 0 1 0 6 6
Sn1_25_555 Sn1 25_555 25 -x+1/3,-y+2/3,-z+2/3 555 0 0 0 6 6
loop_
_cod_molecule_transform_label
_cod_molecule_transform_symop
As1_1_565 -y,x-y,z
As1_1_565 -x+y,-x,z
As1_1_565 -y,-x,z
As1_1_565 x,x-y,z
As1_1_565 -x+y,y,z
Sn1_25_555 -y,x-y,z
Sn1_25_555 -x+y,-x,z
Sn1_25_555 -y,-x,z
Sn1_25_555 x,x-y,z
Sn1_25_555 -x+y,y,z
loop_
_topol_net.id
_topol_net.label
8 Net8
loop_
_topol_node.id
_topol_node.net_id
1 8
2 8
loop_
_topol_link.id
_topol_link.net_id
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
1 8 2 1 1 0 0 0
2 8 2 1 1 0 -1 0
3 8 2 1 1 1 0 0
loop_
_topol_atom.id
_topol_atom.atom_label
_topol_atom.node_id
_topol_atom.element_symbol
1 As1_1_565 1 As
2 Sn1_25_555 2 Sn
data_1008731_molecule_5
loop_
_publ_author_name
'Asbrand, M'
'Eisenmann, B'
'Klein, J'
_publ_section_title
;
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung
und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2
As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first 576
_journal_page_last 582
_journal_volume 621
_journal_year 1995
_[local]_cod_src_chemical_formula_structural 'Na (Sn2 As2)'
_[local]_cod_src_chemical_formula_sum 'As2 Na Sn2'
_[local]_cod_src_chemical_name_systematic 'Sodium diarsenidodistannate'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_length_a 4.006(2)
_cell_length_b 4.006(2)
_cell_length_c 27.58099(500)
_[local]_cod_src_refine_ls_R_factor_all 0.036
_audit_creation_method
'Id: cif_molecule 10429 2024-12-08 20:59:31Z Yaroslav_Rozdobudko'
_chemical_formula_sum 'As Sn'
_cod_data_source_file 1008731.cif
_cod_data_source_block 1008731
_cell_formula_units_Z 1
_space_group_name_H-M_alt 'P 1'
_cod_molecule_space_group_IT_number 166
_cod_molecule_is_polymer yes
_cod_molecule_polymer_dimension 2
_cod_molecule_polymer_basis '1;0;0 0;1;0'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
Sn2+ 2.000
As2- -2.500
loop_
_space_group_symop_operation_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_calc_flag
As1_13_545 As2- 0.333333 -0.333333 0.074067 1. d
Sn1_26_555 Sn2+ 0.666667 0.333333 0.123033 1. d
loop_
_cod_molecule_atom_label
_cod_molecule_atom_orig_label
_cod_molecule_atom_symmetry
_cod_molecule_atom_symop_id
_cod_molecule_atom_symop_xyz
_cod_molecule_atom_transl_id
_cod_molecule_atom_transl_x
_cod_molecule_atom_transl_y
_cod_molecule_atom_transl_z
_cod_molecule_atom_mult
_cod_molecule_atom_mult_ratio
As1_13_545 As1 13_545 13 x+1/3,y+2/3,z+2/3 545 0 -1 0 6 6
Sn1_26_555 Sn1 26_555 26 -x+2/3,-y+1/3,-z+1/3 555 0 0 0 6 6
loop_
_cod_molecule_transform_label
_cod_molecule_transform_symop
As1_13_545 -y,x-y,z
As1_13_545 -x+y,-x,z
As1_13_545 -y,-x,z
As1_13_545 x,x-y,z
As1_13_545 -x+y,y,z
Sn1_26_555 -y,x-y,z
Sn1_26_555 -x+y,-x,z
Sn1_26_555 -y,-x,z
Sn1_26_555 x,x-y,z
Sn1_26_555 -x+y,y,z
loop_
_topol_net.id
_topol_net.label
9 Net9
loop_
_topol_node.id
_topol_node.net_id
1 9
2 9
loop_
_topol_link.id
_topol_link.net_id
_topol_link.node_id_1
_topol_link.node_id_2
_topol_link.symop_id_2
_topol_link.translation_2_x
_topol_link.translation_2_y
_topol_link.translation_2_z
1 9 2 1 1 0 0 0
2 9 2 1 1 0 1 0
3 9 2 1 1 1 1 0
loop_
_topol_atom.id
_topol_atom.atom_label
_topol_atom.node_id
_topol_atom.element_symbol
1 As1_13_545 1 As
2 Sn1_26_555 2 Sn
data_1008731_molecule_6
loop_
_publ_author_name
'Asbrand, M'
'Eisenmann, B'
'Klein, J'
_publ_section_title
;
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung
und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2
As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first 576
_journal_page_last 582
_journal_volume 621
_journal_year 1995
_[local]_cod_src_chemical_formula_structural 'Na (Sn2 As2)'
_[local]_cod_src_chemical_formula_sum 'As2 Na Sn2'
_[local]_cod_src_chemical_name_systematic 'Sodium diarsenidodistannate'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_length_a 4.006(2)
_cell_length_b 4.006(2)
_cell_length_c 27.58099(500)
_[local]_cod_src_refine_ls_R_factor_all 0.036
_audit_creation_method
'Id: cif_molecule 10429 2024-12-08 20:59:31Z Yaroslav_Rozdobudko'
_chemical_formula_sum Na
_cod_data_source_file 1008731.cif
_cod_data_source_block 1008731
_cell_formula_units_Z 1
_space_group_name_H-M_alt 'P 1'
_cod_molecule_space_group_IT_number 166
_cod_molecule_is_polymer no
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
Sn2+ 2.000
As2- -2.500
loop_
_space_group_symop_operation_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_calc_flag
Na1 Na1+ 0.000000 0.000000 0.000000 1. d
loop_
_cod_molecule_atom_label
_cod_molecule_atom_orig_label
_cod_molecule_atom_symmetry
_cod_molecule_atom_symop_id
_cod_molecule_atom_symop_xyz
_cod_molecule_atom_transl_id
_cod_molecule_atom_transl_x
_cod_molecule_atom_transl_y
_cod_molecule_atom_transl_z
_cod_molecule_atom_mult
_cod_molecule_atom_mult_ratio
Na1 Na1 1_555 1 x,y,z 555 0 0 0 3 12
loop_
_cod_molecule_transform_label
_cod_molecule_transform_symop
Na1 -y,x-y,z
Na1 -x+y,-x,z
Na1 -y,-x,z
Na1 x,x-y,z
Na1 -x+y,y,z
Na1 -x,-y,-z
Na1 y,-x+y,-z
Na1 x-y,x,-z
Na1 y,x,-z
Na1 -x,-x+y,-z
Na1 x-y,-y,-z
data_1008731_molecule_7
loop_
_publ_author_name
'Asbrand, M'
'Eisenmann, B'
'Klein, J'
_publ_section_title
;
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung
und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2
As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first 576
_journal_page_last 582
_journal_volume 621
_journal_year 1995
_[local]_cod_src_chemical_formula_structural 'Na (Sn2 As2)'
_[local]_cod_src_chemical_formula_sum 'As2 Na Sn2'
_[local]_cod_src_chemical_name_systematic 'Sodium diarsenidodistannate'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_length_a 4.006(2)
_cell_length_b 4.006(2)
_cell_length_c 27.58099(500)
_[local]_cod_src_refine_ls_R_factor_all 0.036
_audit_creation_method
'Id: cif_molecule 10429 2024-12-08 20:59:31Z Yaroslav_Rozdobudko'
_chemical_formula_sum Na
_cod_data_source_file 1008731.cif
_cod_data_source_block 1008731
_cell_formula_units_Z 1
_space_group_name_H-M_alt 'P 1'
_cod_molecule_space_group_IT_number 166
_cod_molecule_is_polymer no
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
Sn2+ 2.000
As2- -2.500
loop_
_space_group_symop_operation_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_calc_flag
Na1_13_555 Na1+ 0.333333 0.666667 0.666667 1. d
loop_
_cod_molecule_atom_label
_cod_molecule_atom_orig_label
_cod_molecule_atom_symmetry
_cod_molecule_atom_symop_id
_cod_molecule_atom_symop_xyz
_cod_molecule_atom_transl_id
_cod_molecule_atom_transl_x
_cod_molecule_atom_transl_y
_cod_molecule_atom_transl_z
_cod_molecule_atom_mult
_cod_molecule_atom_mult_ratio
Na1_13_555 Na1 13_555 13 x+1/3,y+2/3,z+2/3 555 0 0 0 3 12
loop_
_cod_molecule_transform_label
_cod_molecule_transform_symop
Na1_13_555 -y,x-y,z
Na1_13_555 -x+y,-x,z
Na1_13_555 -y,-x,z
Na1_13_555 x,x-y,z
Na1_13_555 -x+y,y,z
Na1_13_555 -x+2/3,-y+1/3,-z+1/3
Na1_13_555 y+2/3,-x+y+1/3,-z+1/3
Na1_13_555 x-y+2/3,x+1/3,-z+1/3
Na1_13_555 y+2/3,x+1/3,-z+1/3
Na1_13_555 -x+2/3,-x+y+1/3,-z+1/3
Na1_13_555 x-y+2/3,-y+1/3,-z+1/3
data_1008731_molecule_8
loop_
_publ_author_name
'Asbrand, M'
'Eisenmann, B'
'Klein, J'
_publ_section_title
;
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung
und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2
As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first 576
_journal_page_last 582
_journal_volume 621
_journal_year 1995
_[local]_cod_src_chemical_formula_structural 'Na (Sn2 As2)'
_[local]_cod_src_chemical_formula_sum 'As2 Na Sn2'
_[local]_cod_src_chemical_name_systematic 'Sodium diarsenidodistannate'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_length_a 4.006(2)
_cell_length_b 4.006(2)
_cell_length_c 27.58099(500)
_[local]_cod_src_refine_ls_R_factor_all 0.036
_audit_creation_method
'Id: cif_molecule 10429 2024-12-08 20:59:31Z Yaroslav_Rozdobudko'
_chemical_formula_sum Na
_cod_data_source_file 1008731.cif
_cod_data_source_block 1008731
_cell_formula_units_Z 1
_space_group_name_H-M_alt 'P 1'
_cod_molecule_space_group_IT_number 166
_cod_molecule_is_polymer no
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
Sn2+ 2.000
As2- -2.500
loop_
_space_group_symop_operation_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_calc_flag
Na1_14_555 Na1+ 0.666667 0.333333 0.333333 1. d
loop_
_cod_molecule_atom_label
_cod_molecule_atom_orig_label
_cod_molecule_atom_symmetry
_cod_molecule_atom_symop_id
_cod_molecule_atom_symop_xyz
_cod_molecule_atom_transl_id
_cod_molecule_atom_transl_x
_cod_molecule_atom_transl_y
_cod_molecule_atom_transl_z
_cod_molecule_atom_mult
_cod_molecule_atom_mult_ratio
Na1_14_555 Na1 14_555 14 x+2/3,y+1/3,z+1/3 555 0 0 0 3 12
loop_
_cod_molecule_transform_label
_cod_molecule_transform_symop
Na1_14_555 -y,x-y,z
Na1_14_555 -x+y,-x,z
Na1_14_555 -y,-x,z
Na1_14_555 x,x-y,z
Na1_14_555 -x+y,y,z
Na1_14_555 -x+1/3,-y+2/3,-z+2/3
Na1_14_555 y+1/3,-x+y+2/3,-z+2/3
Na1_14_555 x-y+1/3,x+2/3,-z+2/3
Na1_14_555 y+1/3,x+2/3,-z+2/3
Na1_14_555 -x+1/3,-x+y+2/3,-z+2/3
Na1_14_555 x-y+1/3,-y+2/3,-z+2/3
|
