#------------------------------------------------------------------------------
#$Date: 2024-01-10 04:58:07 +0200 (Wed, 10 Jan 2024) $
#$Revision: 289014 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/07/1570751.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_1570751
loop_
_publ_author_name
'Nishio-Hamane, D.'
'Yajima, T.'
'Shimobayashi, N.'
'Ohnishi, M.'
'Niwa, T.'
_publ_section_title
;
 Asagiite, NiCu4(SO4)2(OH)6*6H2O, a new member of the ktenasite group from
 the Nakauri mine, Shinshiro City, Aichi Prefecture, Japan
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              1
_journal_page_last               8
_journal_paper_doi               10.2465/jmps.230711
_journal_volume                  118:024
_journal_year                    2023
_chemical_formula_sum
'Co0.18 Cu3.44 Fe0.01 H18.05 Ni0.76 O20 S2 Zn0.59'
_chemical_name_common            NiCu4(SO4)2(OH)6*6H2O
_chemical_name_mineral           asagiite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000000
_cell_angle_beta                 95.288(4)
_cell_angle_gamma                90.000000
_cell_formula_units_Z            2
_cell_length_a                   5.6095(8)
_cell_length_b                   6.1259(7)
_cell_length_c                   23.758(3)
_cell_volume                     812.93(18)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            asagiite.cif
_cod_data_source_block           asagiite
_cod_original_cell_volume        812.927114
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum
'Cu3.44 Ni0.76 Zn0.59 Co0.18 Fe0.01 S2 O20 H18.05'
_cod_database_code               1570751
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
3 -x,y+1/2,-z+1/2
4 x,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
Ni 1.0 0.000000 0.500000 0.500000 Uani 0.0159(3) Ni
Cu1 1.0 0.00859(5) 0.59959(9) 0.25103(2) Uani 0.01385(19) Cu
Cu2 1.0 0.50087(5) 0.34907(9) 0.25263(2) Uani 0.0141(2) Cu
S1 1.0 0.63680(13) 0.5578(2) 0.12570(6) Uani 0.0170(4) S
O1 1.0 0.6661(4) 0.5939(5) 0.18759(15) Uani 0.0179(11) O
O2 1.0 0.6034(3) 0.1033(5) 0.20896(14) Uani 0.0162(11) O
O3 1.0 0.8416(3) 0.3528(5) 0.28918(14) Uani 0.0166(11) O
O4 1.0 0.1631(3) 0.3450(5) 0.21437(14) Uani 0.0161(11) O
O5 1.0 0.8704(4) 0.4919(6) 0.10747(15) Uani 0.0285(13) O
O6 1.0 0.5535(4) 0.7605(6) 0.09706(15) Uani 0.0277(13) O
O7 1.0 0.4594(4) 0.3828(5) 0.11269(15) Uani 0.0271(13) O
O8 1.0 0.0840(4) 0.5604(6) 0.41762(14) Uani 0.0252(12) O
O9 1.0 0.6742(4) 0.6599(5) 0.48184(15) Uani 0.0250(12) O
O10 1.0 0.8591(4) 0.2034(6) 0.47187(14) Uani 0.0238(12) O
