data_109508-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                109508
_audit_creation_date               2008/02/01
_chemical_name_systematic          'Strontium Diformate'
_chemical_formula_structural       'Sr (H C O O)2'
_chemical_formula_sum              'C2 H2 O4 Sr1'
_publ_section_title
;
The crystal structure of anhydrous strontium formate
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'X-sen, Osaka University' 1949 5 89 94 XSENAW
_publ_author_name                  'Nitta, I.;Saito, Y.'
_cell_length_a                     6.874
_cell_length_b                     8.747
_cell_length_c                     7.268
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       437
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 21 21 21'
_symmetry_Int_Tables_number        19
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'-x, y+1/2, -z+1/2'
  2	'x+1/2, -y+1/2, -z'
  3	'-x+1/2, -y, z+1/2'
  4	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
C2+	2
H1+	1
O2-	-2
Sr2+	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
Sr1 Sr2+ 4 a 0 0.09150 0 1. 0 
O1 O2- 4 a 0.14500 0.15400 0.35800 1. 0 
O2 O2- 4 a 0.38400 0.33000 0.35000 1. 0 
O3 O2- 4 a 0.26800 0.23500 -0.17200 1. 0 
O4 O2- 4 a 0.13000 0.37000 0.05700 1. 0 
C1 C2+ 4 a 0.24500 0.26000 0.42000 1. 0 
C2 C2+ 4 a 0.13200 0.30300 -0.09400 1. 0 
#Position of  Element of H Is Undetermined.
#End of data_109508-ICSD


data_109509-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                109509
_audit_creation_date               2008/02/01
_chemical_name_systematic          'Strontium Diformate Dihydrate'
_chemical_formula_structural       'Sr (H C O O)2 (H2 O)2'
_chemical_formula_sum              'C2 H6 O6 Sr1'
_publ_section_title
;
The crystal structure of strontium formate dihydrate  Sr (H C O O )2 
* 2 H2 O
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary
;
Osaka Kyoiku Daigaku Kiyo, Dai-3-bumon (Memoirs of Osaka Kyoiku 
University, Series III)
;
 1958 6 13 25 OKDSBO
2 'Journal of Solid State Chemistry' 1985 56 298 303 JSSCBI
3 'Acta Crystallographica (1,1948-23,1967)' 1964 17 459 461 ACCRA9
_publ_author_name                  'Osaki, K.'
_cell_length_a                     7.332(1)
_cell_length_b                     12.040(1)
_cell_length_c                     7.144(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       630.65
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 21 21 21'
_symmetry_Int_Tables_number        19
_refine_ls_R_factor_all            0.119
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'-x, y+1/2, -z+1/2'
  2	'x+1/2, -y+1/2, -z'
  3	'-x+1/2, -y, z+1/2'
  4	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
C2+	2
H1+	1
O2-	-2
Sr2+	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
Sr1 Sr2+ 4 a 0.25000 0.07150 0.19700 1. 0 
C1 C2+ 4 a 0.02000 0.18600 -0.22300 1. 0 
C2 C2+ 4 a -0.14200 -0.01200 0.41700 1. 0 
O1 O2- 4 a 0.11200 0.11600 -0.14700 1. 0 
O2 O2- 4 a -0.06100 0.25900 -0.14400 1. 0 
O3 O2- 4 a 0.02200 -0.00500 0.45000 1. 0 
O4 O2- 4 a -0.24700 0.06300 0.37200 1. 0 
O5 O2- 4 a 0.08900 -0.09200 0.03100 1. 0 
O6 O2- 4 a -0.02500 0.22100 0.24100 1. 0 
#Position of  Element of H Is Undetermined.
#End of data_109509-ICSD


