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#$Date: 2020-04-30 22:21:43 +0300 (Thu, 30 Apr 2020) $
#$Revision: 251311 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/79/1557963.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_1557963
loop_
_publ_author_name
'Carbone, C.'
'Basso, R.'
'Cabella, R.'
'Martinelli, A.'
'Grice, J.D.'
'Lucchetti, G.'
_publ_section_title
;
 Mcalpineite from the Gambatesa mine, Italy, and redefinition of the
 species
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1899
_journal_page_last               1905
_journal_paper_doi               10.2138/am.2013.4525
_journal_volume                  98
_journal_year                    2013
_chemical_formula_sum            'Cu3 O6 Te'
_chemical_name_common            Cu3TeO6
_chemical_name_mineral           mcalpineite
_space_group_IT_number           206
_space_group_name_Hall           '-I 2b 2c 3'
_space_group_name_H-M_alt        'I a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.5393(1)
_cell_length_b                   9.5393(1)
_cell_length_c                   9.5393(1)
_cell_volume                     868.060(16)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            mcalpineite.cif
_cod_data_source_block           mcalpineite
_cod_original_formula_sum        'Cu3 Te O6'
_cod_database_code               1557963
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
3 -x+1/2,-y,z+1/2
4 x+1/2,y,-z+1/2
5 -x,y+1/2,-z+1/2
6 x,-y+1/2,z+1/2
7 x+1/2,-y+1/2,-z
8 -x+1/2,y+1/2,z
9 z,x,y
10 -z,-x,-y
11 z+1/2,-x+1/2,-y
12 -z+1/2,x+1/2,y
13 -z+1/2,-x,y+1/2
14 z+1/2,x,-y+1/2
15 -z,x+1/2,-y+1/2
16 z,-x+1/2,y+1/2
17 y,z,x
18 -y,-z,-x
19 -y,z+1/2,-x+1/2
20 y,-z+1/2,x+1/2
21 y+1/2,-z+1/2,-x
22 -y+1/2,z+1/2,x
23 -y+1/2,-z,x+1/2
24 y+1/2,z,-x+1/2
25 x+1/2,y+1/2,z+1/2
26 -x+1/2,-y+1/2,-z+1/2
27 -x,-y+1/2,z
28 x,y+1/2,-z
29 -x+1/2,y,-z
30 x+1/2,-y,z
31 x,-y,-z+1/2
32 -x,y,z+1/2
33 z+1/2,x+1/2,y+1/2
34 -z+1/2,-x+1/2,-y+1/2
35 z,-x,-y+1/2
36 -z,x,y+1/2
37 -z,-x+1/2,y
38 z,x+1/2,-y
39 -z+1/2,x,-y
40 z+1/2,-x,y
41 y+1/2,z+1/2,x+1/2
42 -y+1/2,-z+1/2,-x+1/2
43 -y+1/2,z,-x
44 y+1/2,-z,x
45 y,-z,-x+1/2
46 -y,z,x+1/2
47 -y,-z+1/2,x
48 y,z+1/2,-x
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_B_iso_or_equiv
_atom_site_type_symbol
Te 1.0 0.250000 0.250000 0.250000 Biso 1.000000 Te
Cu 1.0 0.96840(10) 0.000000 0.250000 Biso 1.000000 Cu
O 1.0 0.3666(4) 0.1750(4) 0.3953(4) Biso 1.000000 O