#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:08:12 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178802 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/56/4105698.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4105698
loop_
_publ_author_name
'Catherine F. Smura'
'Dinah R. Parker'
'Mohamed Zbiri'
'Mark R. Johnson'
'Zoltán A. Gál'
'Simon J. Clarke'
_publ_section_title
;
 High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and
 Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their
 Solid Solution
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2691
_journal_page_last               2705
_journal_paper_doi               10.1021/ja109553u
_journal_volume                  133
_journal_year                    2011
_chemical_formula_sum            'Co Cu1.89 O2 S2 Sr2'
_chemical_formula_weight         450.41
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_audit_author_name               'Simon Clarke'
_audit_creation_date             2010-10-22T22:45
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2010-10-22T22:45  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   3.983536(16)
_cell_length_b                   3.983536
_cell_length_c                   17.64582(10)
_cell_volume                     280.0137(19)
_computing_structure_refinement  GSAS
_pd_block_id
2010-10-22T22:45|DRP053__EX_POL_RT_SJ_phase1|Simon_Clarke||
_pd_phase_name                   'Sr2CoO2Cu2S2 Polaris RT DRP053 ex'
_pd_proc_ls_prof_R_factor        0.0208
_pd_proc_ls_prof_wR_factor       0.0116
_refine_ls_goodness_of_fit_all   1.67
_refine_ls_matrix_type           full
_refine_ls_number_parameters     94
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.08
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ja109553u_si_003_1.cif
_cod_data_source_block           DRP053__EX_POL_RT_SJ_phase_1
_cod_original_cell_volume        280.0140(30)
_cod_database_code               4105698
_cod_database_fobs_code          4105698
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -y,+x,+z
3 -x,-y,+z
4 +y,-x,+z
5 -x,+y,+z
6 -y,-x,+z
7 +x,-y,+z
8 +y,+x,+z
-1 -x,-y,-z
-2 +y,-x,-z
-3 +x,+y,-z
-4 -y,+x,-z
-5 +x,-y,-z
-6 +y,+x,-z
-7 -x,+y,-z
-8 -y,-x,-z
101 +x+1/2,+y+1/2,+z+1/2
102 -y+1/2,+x+1/2,+z+1/2
103 -x+1/2,-y+1/2,+z+1/2
104 +y+1/2,-x+1/2,+z+1/2
105 -x+1/2,+y+1/2,+z+1/2
106 -y+1/2,-x+1/2,+z+1/2
107 +x+1/2,-y+1/2,+z+1/2
108 +y+1/2,+x+1/2,+z+1/2
-101 -x+1/2,-y+1/2,-z+1/2
-102 +y+1/2,-x+1/2,-z+1/2
-103 +x+1/2,+y+1/2,-z+1/2
-104 -y+1/2,+x+1/2,-z+1/2
-105 +x+1/2,-y+1/2,-z+1/2
-106 +y+1/2,+x+1/2,-z+1/2
-107 -x+1/2,+y+1/2,-z+1/2
-108 -y+1/2,-x+1/2,-z+1/2
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Co Co1 0.0 0.0 0.0 1.0 Uani 0.00958 2
Cu Cu2 0.5 0.0 0.25 0.9451(12) Uani 0.01761 4
Sr Sr3 0.5 0.5 0.093538(14) 1.0 Uani 0.00754 4
S S4 0.0 0.0 0.170724(31) 1.0 Uani 0.00839 4
O O5 0.5 0.0 0.0 1.0 Uani 0.00798 4
loop_
_atom_type_symbol
_atom_type_number_in_cell
Co 2.0
Cu 3.78
Sr 4.0
S 4.0
O 4.0
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Sr3 Co1 Sr3 75.1909(35) 1_445 1_455 n
Sr3 Co1 Sr3 75.1909(35) 1_445 1_545 n
Sr3 Co1 Sr3 119.262(8) 1_445 1_555 n
Sr3 Co1 Sr3 60.738(8) 1_445 -1_555 n
Sr3 Co1 Sr3 104.8091(35) 1_445 -1_565 n
Sr3 Co1 Sr3 104.8091(35) 1_445 -1_655 n
Sr3 Co1 Sr3 180.0 1_445 -1_665 n
Sr3 Co1 O5 52.4045(17) 1_445 1_455 n
Sr3 Co1 O5 127.5955(17) 1_445 1_555 n
Sr3 Co1 O5 52.4045(17) 1_445 2_545 n
Sr3 Co1 O5 127.5955(17) 1_445 2_555 n
Sr3 Co1 Sr3 119.262(8) 1_455 1_545 n
Sr3 Co1 Sr3 75.1909(35) 1_455 1_555 n
Sr3 Co1 Sr3 104.8091(35) 1_455 -1_555 n
Sr3 Co1 Sr3 60.738(8) 1_455 -1_565 n
Sr3 Co1 Sr3 180.0 1_455 -1_655 n
Sr3 Co1 Sr3 104.8091(35) 1_455 -1_665 n
Sr3 Co1 O5 52.4045(17) 1_455 1_455 n
Sr3 Co1 O5 127.5955(17) 1_455 1_555 n
Sr3 Co1 O5 127.5955(17) 1_455 2_545 n
Sr3 Co1 O5 52.4045(17) 1_455 2_555 n
Sr3 Co1 Sr3 75.1909(35) 1_545 1_555 n
Sr3 Co1 Sr3 104.8091(35) 1_545 -1_555 n
Sr3 Co1 Sr3 180.0 1_545 -1_565 n
Sr3 Co1 Sr3 60.738(8) 1_545 -1_655 n
Sr3 Co1 Sr3 104.8091(35) 1_545 -1_665 n
Sr3 Co1 O5 127.5955(17) 1_545 1_455 n
Sr3 Co1 O5 52.4045(17) 1_545 1_555 n
Sr3 Co1 O5 52.4045(17) 1_545 2_545 n
Sr3 Co1 O5 127.5955(17) 1_545 2_555 n
Sr3 Co1 Sr3 180.0 1_555 -1_555 n
Sr3 Co1 Sr3 104.8091(35) 1_555 -1_565 n
Sr3 Co1 Sr3 104.8091(35) 1_555 -1_655 n
Sr3 Co1 Sr3 60.738(8) 1_555 -1_665 n
Sr3 Co1 O5 127.5955(17) 1_555 1_455 n
Sr3 Co1 O5 52.4045(17) 1_555 1_555 n
Sr3 Co1 O5 127.5955(17) 1_555 2_545 n
Sr3 Co1 O5 52.4045(17) 1_555 2_555 n
Sr3 Co1 Sr3 75.1909(35) -1_555 -1_565 n
Sr3 Co1 Sr3 75.1909(35) -1_555 -1_655 n
Sr3 Co1 Sr3 119.262(8) -1_555 -1_665 n
Sr3 Co1 O5 52.4045(17) -1_555 1_455 n
Sr3 Co1 O5 127.5955(17) -1_555 1_555 n
Sr3 Co1 O5 52.4045(17) -1_555 2_545 n
Sr3 Co1 O5 127.5955(17) -1_555 2_555 n
Sr3 Co1 Sr3 119.262(8) -1_565 -1_655 n
Sr3 Co1 Sr3 75.1909(35) -1_565 -1_665 n
Sr3 Co1 O5 52.4045(17) -1_565 1_455 n
Sr3 Co1 O5 127.5955(17) -1_565 1_555 n
Sr3 Co1 O5 127.5955(17) -1_565 2_545 n
Sr3 Co1 O5 52.4045(17) -1_565 2_555 n
Sr3 Co1 Sr3 75.1909(35) -1_655 -1_665 n
Sr3 Co1 O5 127.5955(17) -1_655 1_455 n
Sr3 Co1 O5 52.4045(17) -1_655 1_555 n
Sr3 Co1 O5 52.4045(17) -1_655 2_545 n
Sr3 Co1 O5 127.5955(17) -1_655 2_555 n
Sr3 Co1 O5 127.5955(17) -1_665 1_455 n
Sr3 Co1 O5 52.4045(17) -1_665 1_555 n
Sr3 Co1 O5 127.5955(17) -1_665 2_545 n
Sr3 Co1 O5 52.4045(17) -1_665 2_555 n
O5 Co1 O5 180.0 1_455 1_555 n
O5 Co1 O5 90.0 1_455 2_545 n
O5 Co1 O5 90.0 1_455 2_555 n
O5 Co1 O5 90.0 1_555 2_545 n
O5 Co1 O5 90.0 1_555 2_555 n
O5 Co1 O5 180.0 2_545 2_555 n
Sr3 Cu2 Sr3 71.615(5) 1_545 1_555 n
Sr3 Cu2 Sr3 131.1248(32) 1_545 -101_444 n
Sr3 Cu2 Sr3 131.1248(32) 1_545 -101_544 n
Sr3 Cu2 S4 62.218(8) 1_545 1_555 n
Sr3 Cu2 S4 62.218(8) 1_545 1_655 n
Sr3 Cu2 S4 89.274(11) 1_545 -101_434 n
Sr3 Cu2 S4 160.889(11) 1_545 -101_444 n
Sr3 Cu2 Sr3 131.1248(32) 1_555 -101_444 n
Sr3 Cu2 Sr3 131.1248(32) 1_555 -101_544 n
Sr3 Cu2 S4 62.218(8) 1_555 1_555 n
Sr3 Cu2 S4 62.218(8) 1_555 1_655 n
Sr3 Cu2 S4 160.889(11) 1_555 -101_434 n
Sr3 Cu2 S4 89.274(11) 1_555 -101_444 n
Sr3 Cu2 Sr3 71.615(5) -101_444 -101_544 n
Sr3 Cu2 S4 89.274(11) -101_444 1_555 n
Sr3 Cu2 S4 160.889(11) -101_444 1_655 n
Sr3 Cu2 S4 62.218(8) -101_444 -101_434 n
Sr3 Cu2 S4 62.218(8) -101_444 -101_444 n
Sr3 Cu2 S4 160.889(11) -101_544 1_555 n
Sr3 Cu2 S4 89.274(11) -101_544 1_655 n
Sr3 Cu2 S4 62.218(8) -101_544 -101_434 n
Sr3 Cu2 S4 62.218(8) -101_544 -101_444 n
S4 Cu2 S4 109.837(21) 1_555 1_655 n
S4 Cu2 S4 109.289(10) 1_555 -101_434 n
S4 Cu2 S4 109.289(10) 1_555 -101_444 n
S4 Cu2 S4 109.289(10) 1_655 -101_434 n
S4 Cu2 S4 109.289(10) 1_655 -101_444 n
S4 Cu2 S4 109.837(21) -101_434 -101_444 n
Co1 Sr3 Co1 75.1909(35) 1_555 1_565 n
Co1 Sr3 Co1 75.1909(35) 1_555 1_655 n
Co1 Sr3 Co1 119.262(8) 1_555 1_665 n
Co1 Sr3 Cu2 93.0423(16) 1_555 1_555 n
Co1 Sr3 Cu2 140.080(4) 1_555 1_565 n
Co1 Sr3 Cu2 93.0423(16) 1_555 2_555 n
Co1 Sr3 Cu2 140.080(4) 1_555 2_655 n
Co1 Sr3 Sr3 52.4045(17) 1_555 1_455 n
Co1 Sr3 Sr3 52.4045(17) 1_555 1_545 n
Co1 Sr3 Sr3 127.5955(17) 1_555 1_565 n
Co1 Sr3 Sr3 127.5955(17) 1_555 1_655 n
Co1 Sr3 Sr3 59.631(4) 1_555 -1_665 n
Co1 Sr3 S4 56.174(9) 1_555 1_555 n
Co1 Sr3 S4 102.714(4) 1_555 1_565 n
Co1 Sr3 S4 102.714(4) 1_555 1_655 n
Co1 Sr3 S4 175.436(12) 1_555 1_665 n
Co1 Sr3 O5 37.5955(17) 1_555 1_555 n
Co1 Sr3 O5 98.462(7) 1_555 1_565 n
Co1 Sr3 O5 37.5955(17) 1_555 2_555 n
Co1 Sr3 O5 98.462(7) 1_555 2_655 n
Co1 Sr3 Co1 119.262(8) 1_565 1_655 n
Co1 Sr3 Co1 75.1909(35) 1_565 1_665 n
Co1 Sr3 Cu2 140.080(4) 1_565 1_555 n
Co1 Sr3 Cu2 93.0423(16) 1_565 1_565 n
Co1 Sr3 Cu2 93.0423(16) 1_565 2_555 n
Co1 Sr3 Cu2 140.080(4) 1_565 2_655 n
Co1 Sr3 Sr3 52.4045(17) 1_565 1_455 n
Co1 Sr3 Sr3 127.5955(17) 1_565 1_545 n
Co1 Sr3 Sr3 52.4045(17) 1_565 1_565 n
Co1 Sr3 Sr3 127.5955(17) 1_565 1_655 n
Co1 Sr3 Sr3 59.631(4) 1_565 -1_665 n
Co1 Sr3 S4 102.714(4) 1_565 1_555 n
Co1 Sr3 S4 56.174(9) 1_565 1_565 n
Co1 Sr3 S4 175.436(12) 1_565 1_655 n
Co1 Sr3 S4 102.714(4) 1_565 1_665 n
Co1 Sr3 O5 98.462(7) 1_565 1_555 n
Co1 Sr3 O5 37.5955(17) 1_565 1_565 n
Co1 Sr3 O5 37.5955(17) 1_565 2_555 n
Co1 Sr3 O5 98.462(7) 1_565 2_655 n
Co1 Sr3 Co1 75.1909(35) 1_655 1_665 n
Co1 Sr3 Cu2 93.0423(16) 1_655 1_555 n
Co1 Sr3 Cu2 140.080(4) 1_655 1_565 n
Co1 Sr3 Cu2 140.080(4) 1_655 2_555 n
Co1 Sr3 Cu2 93.0423(16) 1_655 2_655 n
Co1 Sr3 Sr3 127.5955(17) 1_655 1_455 n
Co1 Sr3 Sr3 52.4045(17) 1_655 1_545 n
Co1 Sr3 Sr3 127.5955(17) 1_655 1_565 n
Co1 Sr3 Sr3 52.4045(17) 1_655 1_655 n
Co1 Sr3 Sr3 59.631(4) 1_655 -1_665 n
Co1 Sr3 S4 102.714(4) 1_655 1_555 n
Co1 Sr3 S4 175.436(12) 1_655 1_565 n
Co1 Sr3 S4 56.174(9) 1_655 1_655 n
Co1 Sr3 S4 102.714(4) 1_655 1_665 n
Co1 Sr3 O5 37.5955(17) 1_655 1_555 n
Co1 Sr3 O5 98.462(7) 1_655 1_565 n
Co1 Sr3 O5 98.462(7) 1_655 2_555 n
Co1 Sr3 O5 37.5955(17) 1_655 2_655 n
Co1 Sr3 Cu2 140.080(4) 1_665 1_555 n
Co1 Sr3 Cu2 93.0423(16) 1_665 1_565 n
Co1 Sr3 Cu2 140.080(4) 1_665 2_555 n
Co1 Sr3 Cu2 93.0423(16) 1_665 2_655 n
Co1 Sr3 Sr3 127.5955(17) 1_665 1_455 n
Co1 Sr3 Sr3 127.5955(17) 1_665 1_545 n
Co1 Sr3 Sr3 52.4045(17) 1_665 1_565 n
Co1 Sr3 Sr3 52.4045(17) 1_665 1_655 n
Co1 Sr3 Sr3 59.631(4) 1_665 -1_665 n
Co1 Sr3 S4 175.436(12) 1_665 1_555 n
Co1 Sr3 S4 102.714(4) 1_665 1_565 n
Co1 Sr3 S4 102.714(4) 1_665 1_655 n
Co1 Sr3 S4 56.174(9) 1_665 1_665 n
Co1 Sr3 O5 98.462(7) 1_665 1_555 n
Co1 Sr3 O5 37.5955(17) 1_665 1_565 n
Co1 Sr3 O5 98.462(7) 1_665 2_555 n
Co1 Sr3 O5 37.5955(17) 1_665 2_655 n
Cu2 Sr3 Cu2 71.615(5) 1_555 1_565 n
Cu2 Sr3 Cu2 48.8752(32) 1_555 2_555 n
Cu2 Sr3 Cu2 48.8752(32) 1_555 2_655 n
Cu2 Sr3 Sr3 90.0 1_555 1_455 n
Cu2 Sr3 Sr3 54.1926(25) 1_555 1_545 n
Cu2 Sr3 Sr3 125.8074(25) 1_555 1_565 n
Cu2 Sr3 Sr3 90.0 1_555 1_655 n
Cu2 Sr3 Sr3 144.1926(25) 1_555 -1_665 n
Cu2 Sr3 S4 43.491(7) 1_555 1_555 n
Cu2 Sr3 S4 91.112(10) 1_555 1_565 n
Cu2 Sr3 S4 43.491(7) 1_555 1_655 n
Cu2 Sr3 S4 91.112(10) 1_555 1_665 n
Cu2 Sr3 O5 93.8407(19) 1_555 1_555 n
Cu2 Sr3 O5 165.456(7) 1_555 1_565 n
Cu2 Sr3 O5 121.1626(21) 1_555 2_555 n
Cu2 Sr3 O5 121.1626(21) 1_555 2_655 n
Cu2 Sr3 Cu2 48.8752(32) 1_565 2_555 n
Cu2 Sr3 Cu2 48.8752(32) 1_565 2_655 n
Cu2 Sr3 Sr3 90.0 1_565 1_455 n
Cu2 Sr3 Sr3 125.8074(25) 1_565 1_545 n
Cu2 Sr3 Sr3 54.1926(25) 1_565 1_565 n
Cu2 Sr3 Sr3 90.0 1_565 1_655 n
Cu2 Sr3 Sr3 144.1926(25) 1_565 -1_665 n
Cu2 Sr3 S4 91.112(10) 1_565 1_555 n
Cu2 Sr3 S4 43.491(7) 1_565 1_565 n
Cu2 Sr3 S4 91.112(10) 1_565 1_655 n
Cu2 Sr3 S4 43.491(7) 1_565 1_665 n
Cu2 Sr3 O5 165.456(7) 1_565 1_555 n
Cu2 Sr3 O5 93.8407(19) 1_565 1_565 n
Cu2 Sr3 O5 121.1626(21) 1_565 2_555 n
Cu2 Sr3 O5 121.1626(21) 1_565 2_655 n
Cu2 Sr3 Cu2 71.615(5) 2_555 2_655 n
Cu2 Sr3 Sr3 54.1926(25) 2_555 1_455 n
Cu2 Sr3 Sr3 90.0 2_555 1_545 n
Cu2 Sr3 Sr3 90.0 2_555 1_565 n
Cu2 Sr3 Sr3 125.8074(25) 2_555 1_655 n
Cu2 Sr3 Sr3 144.1926(25) 2_555 -1_665 n
Cu2 Sr3 S4 43.491(7) 2_555 1_555 n
Cu2 Sr3 S4 43.491(7) 2_555 1_565 n
Cu2 Sr3 S4 91.112(10) 2_555 1_655 n
Cu2 Sr3 S4 91.112(10) 2_555 1_665 n
Cu2 Sr3 O5 121.1626(21) 2_555 1_555 n
Cu2 Sr3 O5 121.1626(21) 2_555 1_565 n
Cu2 Sr3 O5 93.8407(19) 2_555 2_555 n
Cu2 Sr3 O5 165.456(7) 2_555 2_655 n
Cu2 Sr3 Sr3 125.8074(25) 2_655 1_455 n
Cu2 Sr3 Sr3 90.0 2_655 1_545 n
Cu2 Sr3 Sr3 90.0 2_655 1_565 n
Cu2 Sr3 Sr3 54.1926(25) 2_655 1_655 n
Cu2 Sr3 Sr3 144.1926(25) 2_655 -1_665 n
Cu2 Sr3 S4 91.112(10) 2_655 1_555 n
Cu2 Sr3 S4 91.112(10) 2_655 1_565 n
Cu2 Sr3 S4 43.491(7) 2_655 1_655 n
Cu2 Sr3 S4 43.491(7) 2_655 1_665 n
Cu2 Sr3 O5 121.1626(21) 2_655 1_555 n
Cu2 Sr3 O5 121.1626(21) 2_655 1_565 n
Cu2 Sr3 O5 165.456(7) 2_655 2_555 n
Cu2 Sr3 O5 93.8407(19) 2_655 2_655 n
Sr3 Sr3 Sr3 90.0 1_455 1_545 n
Sr3 Sr3 Sr3 90.0 1_455 1_565 n
Sr3 Sr3 Sr3 180.0 1_455 1_655 n
Sr3 Sr3 Sr3 90.0 1_455 -1_665 n
Sr3 Sr3 S4 50.462(4) 1_455 1_555 n
Sr3 Sr3 S4 50.462(4) 1_455 1_565 n
Sr3 Sr3 S4 129.538(4) 1_455 1_655 n
Sr3 Sr3 S4 129.538(4) 1_455 1_665 n
Sr3 Sr3 O5 90.0 1_455 1_555 n
Sr3 Sr3 O5 90.0 1_455 1_565 n
Sr3 Sr3 O5 39.648(4) 1_455 2_555 n
Sr3 Sr3 O5 140.352(4) 1_455 2_655 n
Sr3 Sr3 Sr3 180.0 1_545 1_565 n
Sr3 Sr3 Sr3 90.0 1_545 1_655 n
Sr3 Sr3 Sr3 90.0 1_545 -1_665 n
Sr3 Sr3 S4 50.462(4) 1_545 1_555 n
Sr3 Sr3 S4 129.538(4) 1_545 1_565 n
Sr3 Sr3 S4 50.462(4) 1_545 1_655 n
Sr3 Sr3 S4 129.538(4) 1_545 1_665 n
Sr3 Sr3 O5 39.648(4) 1_545 1_555 n
Sr3 Sr3 O5 140.352(4) 1_545 1_565 n
Sr3 Sr3 O5 90.0 1_545 2_555 n
Sr3 Sr3 O5 90.0 1_545 2_655 n
Sr3 Sr3 Sr3 90.0 1_565 1_655 n
Sr3 Sr3 Sr3 90.0 1_565 -1_665 n
Sr3 Sr3 S4 129.538(4) 1_565 1_555 n
Sr3 Sr3 S4 50.462(4) 1_565 1_565 n
Sr3 Sr3 S4 129.538(4) 1_565 1_655 n
Sr3 Sr3 S4 50.462(4) 1_565 1_665 n
Sr3 Sr3 O5 140.352(4) 1_565 1_555 n
Sr3 Sr3 O5 39.648(4) 1_565 1_565 n
Sr3 Sr3 O5 90.0 1_565 2_555 n
Sr3 Sr3 O5 90.0 1_565 2_655 n
Sr3 Sr3 Sr3 90.0 1_655 -1_665 n
Sr3 Sr3 S4 129.538(4) 1_655 1_555 n
Sr3 Sr3 S4 129.538(4) 1_655 1_565 n
Sr3 Sr3 S4 50.462(4) 1_655 1_655 n
Sr3 Sr3 S4 50.462(4) 1_655 1_665 n
Sr3 Sr3 O5 90.0 1_655 1_555 n
Sr3 Sr3 O5 90.0 1_655 1_565 n
Sr3 Sr3 O5 140.352(4) 1_655 2_555 n
Sr3 Sr3 O5 39.648(4) 1_655 2_655 n
Sr3 Sr3 S4 115.805(10) -1_665 1_555 n
Sr3 Sr3 S4 115.805(10) -1_665 1_565 n
Sr3 Sr3 S4 115.805(10) -1_665 1_655 n
Sr3 Sr3 S4 115.805(10) -1_665 1_665 n
Sr3 Sr3 O5 50.352(4) -1_665 1_555 n
Sr3 Sr3 O5 50.352(4) -1_665 1_565 n
Sr3 Sr3 O5 50.352(4) -1_665 2_555 n
Sr3 Sr3 O5 50.352(4) -1_665 2_655 n
S4 Sr3 S4 79.076(8) 1_555 1_565 n
S4 Sr3 S4 79.076(8) 1_555 1_655 n
S4 Sr3 S4 128.389(20) 1_555 1_665 n
S4 Sr3 O5 77.737(7) 1_555 1_555 n
S4 Sr3 O5 140.168(5) 1_555 1_565 n
S4 Sr3 O5 77.737(7) 1_555 2_555 n
S4 Sr3 O5 140.168(5) 1_555 2_655 n
S4 Sr3 S4 128.389(20) 1_565 1_655 n
S4 Sr3 S4 79.076(8) 1_565 1_665 n
S4 Sr3 O5 140.168(5) 1_565 1_555 n
S4 Sr3 O5 77.737(7) 1_565 1_565 n
S4 Sr3 O5 77.737(7) 1_565 2_555 n
S4 Sr3 O5 140.168(5) 1_565 2_655 n
S4 Sr3 S4 79.076(8) 1_655 1_665 n
S4 Sr3 O5 77.737(7) 1_655 1_555 n
S4 Sr3 O5 140.168(5) 1_655 1_565 n
S4 Sr3 O5 140.168(5) 1_655 2_555 n
S4 Sr3 O5 77.737(7) 1_655 2_655 n
S4 Sr3 O5 140.168(5) 1_665 1_555 n
S4 Sr3 O5 77.737(7) 1_665 1_565 n
S4 Sr3 O5 140.168(5) 1_665 2_555 n
S4 Sr3 O5 77.737(7) 1_665 2_655 n
O5 Sr3 O5 100.704(9) 1_555 1_565 n
O5 Sr3 O5 65.975(5) 1_555 2_555 n
O5 Sr3 O5 65.975(5) 1_555 2_655 n
O5 Sr3 O5 65.975(5) 1_565 2_555 n
O5 Sr3 O5 65.975(5) 1_565 2_655 n
O5 Sr3 O5 100.704(9) 2_555 2_655 n
Cu2 S4 Cu2 109.837(21) 1_455 1_555 n
Cu2 S4 Cu2 70.711(10) 1_455 2_545 n
Cu2 S4 Cu2 70.711(10) 1_455 2_555 n
Cu2 S4 Sr3 74.2911(34) 1_455 1_445 n
Cu2 S4 Sr3 74.2911(34) 1_455 1_455 n
Cu2 S4 Sr3 140.456(4) 1_455 1_545 n
Cu2 S4 Sr3 140.456(4) 1_455 1_555 n
Cu2 S4 Cu2 70.711(10) 1_555 2_545 n
Cu2 S4 Cu2 70.711(10) 1_555 2_555 n
Cu2 S4 Sr3 140.456(4) 1_555 1_445 n
Cu2 S4 Sr3 140.456(4) 1_555 1_455 n
Cu2 S4 Sr3 74.2911(34) 1_555 1_545 n
Cu2 S4 Sr3 74.2911(34) 1_555 1_555 n
Cu2 S4 Cu2 109.837(21) 2_545 2_555 n
Cu2 S4 Sr3 74.2911(34) 2_545 1_445 n
Cu2 S4 Sr3 140.456(4) 2_545 1_455 n
Cu2 S4 Sr3 74.2911(34) 2_545 1_545 n
Cu2 S4 Sr3 140.456(4) 2_545 1_555 n
Cu2 S4 Sr3 140.456(4) 2_555 1_445 n
Cu2 S4 Sr3 74.2911(34) 2_555 1_455 n
Cu2 S4 Sr3 140.456(4) 2_555 1_545 n
Cu2 S4 Sr3 74.2911(34) 2_555 1_555 n
Sr3 S4 Sr3 79.076(8) 1_445 1_455 n
Sr3 S4 Sr3 79.076(8) 1_445 1_545 n
Sr3 S4 Sr3 128.389(20) 1_445 1_555 n
Sr3 S4 Sr3 128.389(20) 1_455 1_545 n
Sr3 S4 Sr3 79.076(8) 1_455 1_555 n
Sr3 S4 Sr3 79.076(8) 1_545 1_555 n
Co1 O5 Co1 180.0 1_555 1_655 n
Co1 O5 Sr3 90.0 1_555 1_545 n
Co1 O5 Sr3 90.0 1_555 1_555 n
Co1 O5 Sr3 90.0 1_555 -1_655 n
Co1 O5 Sr3 90.0 1_555 -1_665 n
Co1 O5 Sr3 90.0 1_655 1_545 n
Co1 O5 Sr3 90.0 1_655 1_555 n
Co1 O5 Sr3 90.0 1_655 -1_655 n
Co1 O5 Sr3 90.0 1_655 -1_665 n
Sr3 O5 Sr3 100.704(9) 1_545 1_555 n
Sr3 O5 Sr3 79.296(9) 1_545 -1_655 n
Sr3 O5 Sr3 179.9802 1_545 -1_665 n
Sr3 O5 Sr3 179.9802 1_555 -1_655 n
Sr3 O5 Sr3 79.296(9) 1_555 -1_665 n
Sr3 O5 Sr3 100.704(9) -1_655 -1_665 n
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 Sr3 3.26475(13) 1_445 n
Co1 Sr3 3.26475(13) 1_455 n
Co1 Sr3 3.26475(13) 1_545 n
Co1 Sr3 3.26475(13) 1_555 n
Co1 Sr3 3.26475(13) -1_555 n
Co1 Sr3 3.26475(13) -1_565 n
Co1 Sr3 3.26475(13) -1_655 n
Co1 Sr3 3.26475(13) -1_665 n
Co1 S4 3.0126(5) 1_555 n
Co1 S4 3.0126(5) -1_555 n
Co1 O5 1.991770(10) 1_455 n
Co1 O5 1.991770(10) 1_555 n
Co1 O5 1.991770(10) 2_545 n
Co1 O5 1.991770(10) 2_555 n
Cu2 Cu2 2.816790(10) 2_545 n
Cu2 Cu2 2.816790(10) 2_555 n
Cu2 Cu2 2.816790(10) 2_645 n
Cu2 Cu2 2.816790(10) 2_655 n
Cu2 Sr3 3.40437(21) 1_545 n
Cu2 Sr3 3.40437(21) 1_555 n
Cu2 Sr3 3.40437(21) -101_444 n
Cu2 Sr3 3.40437(21) -101_544 n
Cu2 S4 2.43393(31) 1_555 n
Cu2 S4 2.43393(31) 1_655 n
Cu2 S4 2.43393(31) -101_434 n
Cu2 S4 2.43393(31) -101_444 n
Sr3 Co1 3.26475(13) 1_555 n
Sr3 Co1 3.26475(13) 1_565 n
Sr3 Co1 3.26475(13) 1_655 n
Sr3 Co1 3.26475(13) 1_665 n
Sr3 Cu2 3.40437(21) 1_555 n
Sr3 Cu2 3.40437(21) 1_565 n
Sr3 Cu2 3.40437(21) 2_555 n
Sr3 Cu2 3.40437(21) 2_655 n
Sr3 Sr3 3.983540(20) 1_455 n
Sr3 Sr3 3.983540(20) 1_545 n
Sr3 Sr3 3.983540(20) 1_565 n
Sr3 Sr3 3.983540(20) 1_655 n
Sr3 Sr3 3.3011(5) -1_665 n
Sr3 S4 3.12879(26) 1_555 n
Sr3 S4 3.12879(26) 1_565 n
Sr3 S4 3.12879(26) 1_655 n
Sr3 S4 3.12879(26) 1_665 n
Sr3 S4 4.1598(6) -101_444 n
Sr3 O5 2.58679(16) 1_555 n
Sr3 O5 2.58679(16) 1_565 n
Sr3 O5 2.58679(16) 2_555 n
Sr3 O5 2.58679(16) 2_655 n
S4 Co1 3.0126(5) 1_555 n
S4 Cu2 2.43393(31) 1_455 n
S4 Cu2 2.43393(31) 1_555 n
S4 Cu2 2.43393(31) 2_545 n
S4 Cu2 2.43393(31) 2_555 n
S4 Sr3 3.12879(26) 1_445 n
S4 Sr3 3.12879(26) 1_455 n
S4 Sr3 3.12879(26) 1_545 n
S4 Sr3 3.12879(26) 1_555 n
S4 Sr3 4.1598(6) -101_444 n
S4 S4 3.983540(20) 1_455 n
S4 S4 3.983540(20) 1_545 n
S4 S4 3.983540(20) 1_565 n
S4 S4 3.983540(20) 1_655 n
S4 S4 3.9701(8) -101_334 n
S4 S4 3.9701(8) -101_344 n
S4 S4 3.9701(8) -101_434 n
S4 S4 3.9701(8) -101_444 n
O5 Co1 1.991770(10) 1_555 n
O5 Co1 1.991770(10) 1_655 n
O5 Sr3 2.58679(16) 1_545 n
O5 Sr3 2.58679(16) 1_555 n
O5 Sr3 2.58679(16) -1_655 n
O5 Sr3 2.58679(16) -1_665 n
loop_
_pd_block_diffractogram_id
2010-10-22T22:45|DRP053__EX_POL_RT_SJ_H_01|Simon_Clarke|POLARIS
2010-10-22T22:45|DRP053__EX_POL_RT_SJ_H_04|Simon_Clarke|POLARIS
2010-10-22T22:45|DRP053__EX_POL_RT_SJ_H_05|Simon_Clarke|POLARIS
