#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:08:12 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178802 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/56/4105699.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_4105699
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 Cu1.98 O2 S2 Sr2'
_chemical_formula_weight         456.15
_chemical_name_systematic        ' ?'
_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             2010-10-22T22:43
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2010-10-22T22:43  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                   3.991290(16)
_cell_length_b                   3.99129
_cell_length_c                   17.71555(9)
_cell_volume                     282.2157(18)
_computing_structure_refinement  GSAS
_pd_block_id
2010-10-22T22:43|DRP053__noneX_POL_RT_phase1|simon_clarke||
_pd_phase_name                   'Sr2CoO2Cu2S2 Polaris RT DRP053 nonex'
_pd_proc_ls_prof_R_factor        0.0258
_pd_proc_ls_prof_wR_factor       0.0144
_refine_ls_goodness_of_fit_all   1.82
_refine_ls_matrix_type           full
_refine_ls_number_parameters     87
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.05
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ja109553u_si_004_1.cif
_cod_data_source_block           DRP053__noneX_POL_RT_phase_1
_cod_original_cell_volume        282.2160(30)
_cod_database_code               4105699
_cod_database_fobs_code          4105699
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 0.0091 2
Cu Cu2 0.5 0.0 0.25 0.9903(12) Uani 0.01732 4
Sr Sr3 0.5 0.5 0.092329(13) 1.0 Uani 0.00713 4
S S4 0.0 0.0 0.171187(28) 1.0 Uani 0.00812 4
O O5 0.5 0.0 0.0 1.0 Uani 0.00758 4
loop_
_atom_type_symbol
_atom_type_number_in_cell
Co 2.0
Cu 3.961
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 75.4377(33) 1_445 1_455 n
Sr3 Co1 Sr3 75.4377(33) 1_445 1_545 n
Sr3 Co1 Sr3 119.811(7) 1_445 1_555 n
Sr3 Co1 Sr3 60.189(7) 1_445 -1_555 n
Sr3 Co1 Sr3 104.5622(33) 1_445 -1_565 n
Sr3 Co1 Sr3 104.5622(33) 1_445 -1_655 n
Sr3 Co1 Sr3 179.9802 1_445 -1_665 n
Sr3 Co1 O5 52.2811(16) 1_445 1_455 n
Sr3 Co1 O5 127.7189(16) 1_445 1_555 n
Sr3 Co1 O5 52.2811(16) 1_445 2_545 n
Sr3 Co1 O5 127.7189(16) 1_445 2_555 n
Sr3 Co1 Sr3 119.811(7) 1_455 1_545 n
Sr3 Co1 Sr3 75.4377(33) 1_455 1_555 n
Sr3 Co1 Sr3 104.5622(33) 1_455 -1_555 n
Sr3 Co1 Sr3 60.189(7) 1_455 -1_565 n
Sr3 Co1 Sr3 179.9802 1_455 -1_655 n
Sr3 Co1 Sr3 104.5622(33) 1_455 -1_665 n
Sr3 Co1 O5 52.2811(16) 1_455 1_455 n
Sr3 Co1 O5 127.7189(16) 1_455 1_555 n
Sr3 Co1 O5 127.7189(16) 1_455 2_545 n
Sr3 Co1 O5 52.2811(16) 1_455 2_555 n
Sr3 Co1 Sr3 75.4377(33) 1_545 1_555 n
Sr3 Co1 Sr3 104.5622(33) 1_545 -1_555 n
Sr3 Co1 Sr3 179.9802 1_545 -1_565 n
Sr3 Co1 Sr3 60.189(7) 1_545 -1_655 n
Sr3 Co1 Sr3 104.5622(33) 1_545 -1_665 n
Sr3 Co1 O5 127.7189(16) 1_545 1_455 n
Sr3 Co1 O5 52.2811(16) 1_545 1_555 n
Sr3 Co1 O5 52.2811(16) 1_545 2_545 n
Sr3 Co1 O5 127.7189(16) 1_545 2_555 n
Sr3 Co1 Sr3 180.0 1_555 -1_555 n
Sr3 Co1 Sr3 104.5622(33) 1_555 -1_565 n
Sr3 Co1 Sr3 104.5622(33) 1_555 -1_655 n
Sr3 Co1 Sr3 60.189(7) 1_555 -1_665 n
Sr3 Co1 O5 127.7189(16) 1_555 1_455 n
Sr3 Co1 O5 52.2811(16) 1_555 1_555 n
Sr3 Co1 O5 127.7189(16) 1_555 2_545 n
Sr3 Co1 O5 52.2811(16) 1_555 2_555 n
Sr3 Co1 Sr3 75.4377(33) -1_555 -1_565 n
Sr3 Co1 Sr3 75.4377(33) -1_555 -1_655 n
Sr3 Co1 Sr3 119.811(7) -1_555 -1_665 n
Sr3 Co1 O5 52.2811(16) -1_555 1_455 n
Sr3 Co1 O5 127.7189(16) -1_555 1_555 n
Sr3 Co1 O5 52.2811(16) -1_555 2_545 n
Sr3 Co1 O5 127.7189(16) -1_555 2_555 n
Sr3 Co1 Sr3 119.811(7) -1_565 -1_655 n
Sr3 Co1 Sr3 75.4377(33) -1_565 -1_665 n
Sr3 Co1 O5 52.2811(16) -1_565 1_455 n
Sr3 Co1 O5 127.7189(16) -1_565 1_555 n
Sr3 Co1 O5 127.7189(16) -1_565 2_545 n
Sr3 Co1 O5 52.2811(16) -1_565 2_555 n
Sr3 Co1 Sr3 75.4377(33) -1_655 -1_665 n
Sr3 Co1 O5 127.7189(16) -1_655 1_455 n
Sr3 Co1 O5 52.2811(16) -1_655 1_555 n
Sr3 Co1 O5 52.2811(16) -1_655 2_545 n
Sr3 Co1 O5 127.7189(16) -1_655 2_555 n
Sr3 Co1 O5 127.7189(16) -1_665 1_455 n
Sr3 Co1 O5 52.2811(16) -1_665 1_555 n
Sr3 Co1 O5 127.7189(16) -1_665 2_545 n
Sr3 Co1 O5 52.2811(16) -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
S4 Cu2 S4 110.044(19) 1_555 1_655 n
S4 Cu2 S4 109.185(10) 1_555 -101_434 n
S4 Cu2 S4 109.185(10) 1_555 -101_444 n
S4 Cu2 S4 109.185(10) 1_655 -101_434 n
S4 Cu2 S4 109.185(10) 1_655 -101_444 n
S4 Cu2 S4 110.044(19) -101_434 -101_444 n
Co1 Sr3 Co1 75.4377(33) 1_555 1_565 n
Co1 Sr3 Co1 75.4377(33) 1_555 1_655 n
Co1 Sr3 Co1 119.811(7) 1_555 1_665 n
Co1 Sr3 Sr3 52.2811(16) 1_555 1_455 n
Co1 Sr3 Sr3 52.2811(16) 1_555 1_545 n
Co1 Sr3 Sr3 127.7189(16) 1_555 1_565 n
Co1 Sr3 Sr3 127.7189(16) 1_555 1_655 n
Co1 Sr3 Sr3 59.905(4) 1_555 -1_665 n
Co1 Sr3 S4 56.430(8) 1_555 1_555 n
Co1 Sr3 S4 102.853(4) 1_555 1_565 n
Co1 Sr3 S4 102.853(4) 1_555 1_655 n
Co1 Sr3 S4 176.241(11) 1_555 1_665 n
Co1 Sr3 O5 37.7189(16) 1_555 1_555 n
Co1 Sr3 O5 98.935(6) 1_555 1_565 n
Co1 Sr3 O5 37.7189(16) 1_555 2_555 n
Co1 Sr3 O5 98.935(6) 1_555 2_655 n
Co1 Sr3 Co1 119.811(7) 1_565 1_655 n
Co1 Sr3 Co1 75.4377(33) 1_565 1_665 n
Co1 Sr3 Sr3 52.2811(16) 1_565 1_455 n
Co1 Sr3 Sr3 127.7189(16) 1_565 1_545 n
Co1 Sr3 Sr3 52.2811(16) 1_565 1_565 n
Co1 Sr3 Sr3 127.7189(16) 1_565 1_655 n
Co1 Sr3 Sr3 59.905(4) 1_565 -1_665 n
Co1 Sr3 S4 102.853(4) 1_565 1_555 n
Co1 Sr3 S4 56.430(8) 1_565 1_565 n
Co1 Sr3 S4 176.241(11) 1_565 1_655 n
Co1 Sr3 S4 102.853(4) 1_565 1_665 n
Co1 Sr3 O5 98.935(6) 1_565 1_555 n
Co1 Sr3 O5 37.7189(16) 1_565 1_565 n
Co1 Sr3 O5 37.7189(16) 1_565 2_555 n
Co1 Sr3 O5 98.935(6) 1_565 2_655 n
Co1 Sr3 Co1 75.4377(33) 1_655 1_665 n
Co1 Sr3 Sr3 127.7189(16) 1_655 1_455 n
Co1 Sr3 Sr3 52.2811(16) 1_655 1_545 n
Co1 Sr3 Sr3 127.7189(16) 1_655 1_565 n
Co1 Sr3 Sr3 52.2811(16) 1_655 1_655 n
Co1 Sr3 Sr3 59.905(4) 1_655 -1_665 n
Co1 Sr3 S4 102.853(4) 1_655 1_555 n
Co1 Sr3 S4 176.241(11) 1_655 1_565 n
Co1 Sr3 S4 56.430(8) 1_655 1_655 n
Co1 Sr3 S4 102.853(4) 1_655 1_665 n
Co1 Sr3 O5 37.7189(16) 1_655 1_555 n
Co1 Sr3 O5 98.935(6) 1_655 1_565 n
Co1 Sr3 O5 98.935(6) 1_655 2_555 n
Co1 Sr3 O5 37.7189(16) 1_655 2_655 n
Co1 Sr3 Sr3 127.7189(16) 1_665 1_455 n
Co1 Sr3 Sr3 127.7189(16) 1_665 1_545 n
Co1 Sr3 Sr3 52.2811(16) 1_665 1_565 n
Co1 Sr3 Sr3 52.2811(16) 1_665 1_655 n
Co1 Sr3 Sr3 59.905(4) 1_665 -1_665 n
Co1 Sr3 S4 176.241(11) 1_665 1_555 n
Co1 Sr3 S4 102.853(4) 1_665 1_565 n
Co1 Sr3 S4 102.853(4) 1_665 1_655 n
Co1 Sr3 S4 56.430(8) 1_665 1_665 n
Co1 Sr3 O5 98.935(6) 1_665 1_555 n
Co1 Sr3 O5 37.7189(16) 1_665 1_565 n
Co1 Sr3 O5 98.935(6) 1_665 2_555 n
Co1 Sr3 O5 37.7189(16) 1_665 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 50.675(4) 1_455 1_555 n
Sr3 Sr3 S4 50.675(4) 1_455 1_565 n
Sr3 Sr3 S4 129.325(4) 1_455 1_655 n
Sr3 Sr3 S4 129.325(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 39.339(4) 1_455 2_555 n
Sr3 Sr3 O5 140.661(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 50.675(4) 1_545 1_555 n
Sr3 Sr3 S4 129.325(4) 1_545 1_565 n
Sr3 Sr3 S4 50.675(4) 1_545 1_655 n
Sr3 Sr3 S4 129.325(4) 1_545 1_665 n
Sr3 Sr3 O5 39.339(4) 1_545 1_555 n
Sr3 Sr3 O5 140.661(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 129.325(4) 1_565 1_555 n
Sr3 Sr3 S4 50.675(4) 1_565 1_565 n
Sr3 Sr3 S4 129.325(4) 1_565 1_655 n
Sr3 Sr3 S4 50.675(4) 1_565 1_665 n
Sr3 Sr3 O5 140.661(4) 1_565 1_555 n
Sr3 Sr3 O5 39.339(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 129.325(4) 1_655 1_555 n
Sr3 Sr3 S4 129.325(4) 1_655 1_565 n
Sr3 Sr3 S4 50.675(4) 1_655 1_655 n
Sr3 Sr3 S4 50.675(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 140.661(4) 1_655 2_555 n
Sr3 Sr3 O5 39.339(4) 1_655 2_655 n
Sr3 Sr3 S4 116.335(9) -1_665 1_555 n
Sr3 Sr3 S4 116.335(9) -1_665 1_565 n
Sr3 Sr3 S4 116.335(9) -1_665 1_655 n
Sr3 Sr3 S4 116.335(9) -1_665 1_665 n
Sr3 Sr3 O5 50.661(4) -1_665 1_555 n
Sr3 Sr3 O5 50.661(4) -1_665 1_565 n
Sr3 Sr3 O5 50.661(4) -1_665 2_555 n
Sr3 Sr3 O5 50.661(4) -1_665 2_655 n
S4 Sr3 S4 78.650(7) 1_555 1_565 n
S4 Sr3 S4 78.650(7) 1_555 1_655 n
S4 Sr3 S4 127.329(18) 1_555 1_665 n
S4 Sr3 O5 77.941(7) 1_555 1_555 n
S4 Sr3 O5 140.474(5) 1_555 1_565 n
S4 Sr3 O5 77.941(7) 1_555 2_555 n
S4 Sr3 O5 140.474(5) 1_555 2_655 n
S4 Sr3 S4 127.329(18) 1_565 1_655 n
S4 Sr3 S4 78.650(7) 1_565 1_665 n
S4 Sr3 O5 140.474(5) 1_565 1_555 n
S4 Sr3 O5 77.941(7) 1_565 1_565 n
S4 Sr3 O5 77.941(7) 1_565 2_555 n
S4 Sr3 O5 140.474(5) 1_565 2_655 n
S4 Sr3 S4 78.650(7) 1_655 1_665 n
S4 Sr3 O5 77.941(7) 1_655 1_555 n
S4 Sr3 O5 140.474(5) 1_655 1_565 n
S4 Sr3 O5 140.474(5) 1_655 2_555 n
S4 Sr3 O5 77.941(7) 1_655 2_655 n
S4 Sr3 O5 140.474(5) 1_665 1_555 n
S4 Sr3 O5 77.941(7) 1_665 1_565 n
S4 Sr3 O5 140.474(5) 1_665 2_555 n
S4 Sr3 O5 77.941(7) 1_665 2_655 n
O5 Sr3 O5 101.323(8) 1_555 1_565 n
O5 Sr3 O5 66.307(4) 1_555 2_555 n
O5 Sr3 O5 66.307(4) 1_555 2_655 n
O5 Sr3 O5 66.307(4) 1_565 2_555 n
O5 Sr3 O5 66.307(4) 1_565 2_655 n
O5 Sr3 O5 101.323(8) 2_555 2_655 n
Cu2 S4 Cu2 110.044(19) 1_455 1_555 n
Cu2 S4 Cu2 70.815(10) 1_455 2_545 n
Cu2 S4 Cu2 70.815(10) 1_455 2_555 n
Cu2 S4 Sr3 74.6365(32) 1_455 1_445 n
Cu2 S4 Sr3 74.6365(32) 1_455 1_455 n
Cu2 S4 Sr3 140.675(4) 1_455 1_545 n
Cu2 S4 Sr3 140.675(4) 1_455 1_555 n
Cu2 S4 Cu2 70.815(10) 1_555 2_545 n
Cu2 S4 Cu2 70.815(10) 1_555 2_555 n
Cu2 S4 Sr3 140.675(4) 1_555 1_445 n
Cu2 S4 Sr3 140.675(4) 1_555 1_455 n
Cu2 S4 Sr3 74.6365(32) 1_555 1_545 n
Cu2 S4 Sr3 74.6365(32) 1_555 1_555 n
Cu2 S4 Cu2 110.044(19) 2_545 2_555 n
Cu2 S4 Sr3 74.6365(32) 2_545 1_445 n
Cu2 S4 Sr3 140.675(4) 2_545 1_455 n
Cu2 S4 Sr3 74.6365(32) 2_545 1_545 n
Cu2 S4 Sr3 140.675(4) 2_545 1_555 n
Cu2 S4 Sr3 140.675(4) 2_555 1_445 n
Cu2 S4 Sr3 74.6365(32) 2_555 1_455 n
Cu2 S4 Sr3 140.675(4) 2_555 1_545 n
Cu2 S4 Sr3 74.6365(32) 2_555 1_555 n
Sr3 S4 Sr3 78.650(7) 1_445 1_455 n
Sr3 S4 Sr3 78.650(7) 1_445 1_545 n
Sr3 S4 Sr3 127.329(18) 1_445 1_555 n
Sr3 S4 Sr3 127.329(18) 1_455 1_545 n
Sr3 S4 Sr3 78.650(7) 1_455 1_555 n
Sr3 S4 Sr3 78.650(7) 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 101.323(8) 1_545 1_555 n
Sr3 O5 Sr3 78.677(8) 1_545 -1_655 n
Sr3 O5 Sr3 180.0 1_545 -1_665 n
Sr3 O5 Sr3 180.0 1_555 -1_655 n
Sr3 O5 Sr3 78.677(8) 1_555 -1_665 n
Sr3 O5 Sr3 101.323(8) -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 3.26199(12) 1_445 n
Co1 Sr3 3.26199(12) 1_455 n
Co1 Sr3 3.26199(12) 1_545 n
Co1 Sr3 3.26199(12) 1_555 n
Co1 Sr3 3.26199(12) -1_555 n
Co1 Sr3 3.26199(12) -1_565 n
Co1 Sr3 3.26199(12) -1_655 n
Co1 Sr3 3.26199(12) -1_665 n
Co1 S4 3.0327(5) 1_555 n
Co1 S4 3.0327(5) -1_555 n
Co1 O5 1.995650(10) 1_455 n
Co1 O5 1.995650(10) 1_555 n
Co1 O5 1.995650(10) 2_545 n
Co1 O5 1.995650(10) 2_555 n
Cu2 Cu2 2.822270(10) 2_545 n
Cu2 Cu2 2.822270(10) 2_555 n
Cu2 Cu2 2.822270(10) 2_645 n
Cu2 Cu2 2.822270(10) 2_655 n
Cu2 Sr3 3.43289(19) 1_545 n
Cu2 Sr3 3.43289(19) 1_555 n
Cu2 Sr3 3.43289(19) -101_444 n
Cu2 Sr3 3.43289(19) -101_544 n
Cu2 S4 2.43557(29) 1_555 n
Cu2 S4 2.43557(29) 1_655 n
Cu2 S4 2.43557(29) -101_434 n
Cu2 S4 2.43557(29) -101_444 n
Sr3 Co1 3.26199(12) 1_555 n
Sr3 Co1 3.26199(12) 1_565 n
Sr3 Co1 3.26199(12) 1_655 n
Sr3 Co1 3.26199(12) 1_665 n
Sr3 Cu2 3.43289(19) 1_555 n
Sr3 Cu2 3.43289(19) 1_565 n
Sr3 Cu2 3.43289(19) 2_555 n
Sr3 Cu2 3.43289(19) 2_655 n
Sr3 Sr3 3.991290(20) 1_455 n
Sr3 Sr3 3.991290(20) 1_545 n
Sr3 Sr3 3.991290(20) 1_565 n
Sr3 Sr3 3.991290(20) 1_655 n
Sr3 Sr3 3.2713(5) -1_665 n
Sr3 S4 3.14910(25) 1_555 n
Sr3 S4 3.14910(25) 1_565 n
Sr3 S4 3.14910(25) 1_655 n
Sr3 S4 3.14910(25) 1_665 n
Sr3 S4 4.1894(5) -101_444 n
Sr3 O5 2.58031(15) 1_555 n
Sr3 O5 2.58031(15) 1_565 n
Sr3 O5 2.58031(15) 2_555 n
Sr3 O5 2.58031(15) 2_655 n
S4 Co1 3.0327(5) 1_555 n
S4 Cu2 2.43557(29) 1_455 n
S4 Cu2 2.43557(29) 1_555 n
S4 Cu2 2.43557(29) 2_545 n
S4 Cu2 2.43557(29) 2_555 n
S4 Sr3 3.14910(25) 1_445 n
S4 Sr3 3.14910(25) 1_455 n
S4 Sr3 3.14910(25) 1_545 n
S4 Sr3 3.14910(25) 1_555 n
S4 Sr3 4.1894(5) -101_444 n
S4 S4 3.991290(20) 1_455 n
S4 S4 3.991290(20) 1_545 n
S4 S4 3.991290(20) 1_565 n
S4 S4 3.991290(20) 1_655 n
S4 S4 3.9702(7) -101_334 n
S4 S4 3.9702(7) -101_344 n
S4 S4 3.9702(7) -101_434 n
S4 S4 3.9702(7) -101_444 n
O5 Co1 1.995650(10) 1_555 n
O5 Co1 1.995650(10) 1_655 n
O5 Sr3 2.58031(15) 1_545 n
O5 Sr3 2.58031(15) 1_555 n
O5 Sr3 2.58031(15) -1_655 n
O5 Sr3 2.58031(15) -1_665 n
loop_
_pd_block_diffractogram_id
2010-10-22T22:43|DRP053__noneX_POL_RT_H_01|simon_clarke|POLARIS
2010-10-22T22:43|DRP053__noneX_POL_RT_H_04|simon_clarke|POLARIS
2010-10-22T22:43|DRP053__noneX_POL_RT_H_05|simon_clarke|POLARIS
