#------------------------------------------------------------------------------
#$Date: 2016-12-24 10:06:21 +0200 (Sat, 24 Dec 2016) $
#$Revision: 189385 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/48/1544868.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_1544868
loop_
_publ_author_name
'Nagashima, M.'
'Akasaka, M.'
'Kyono, A.'
'Makino, K.'
'Ikeda, K.'
_publ_section_title
;
 Distribution of chromium among the octahedral sites in chromian epidote
 from Iratsu, central Shikoku, Japan Sample: CrEp3
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              240
_journal_page_last               254
_journal_volume                  102
_journal_year                    2007
_chemical_formula_sum
'Al2.27 Ca1.88 Cr0.22 Fe0.51 H O13 Si3 Sr0.12'
_chemical_name_common
'[Ca][Ca0.88Sr0.12][Al0.9Cr0.1][Al][Al0.37Cr0.12Fe0.51]Si3O12(OH)'
_chemical_name_mineral           'chromian epidote'
_space_group_IT_number           11
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.177(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.895(2)
_cell_length_b                   5.610(1)
_cell_length_c                   10.146(2)
_cell_volume                     458.20(16)
_cod_data_source_file            chromian-epidote3.cif
_cod_data_source_block           chromian-epidote3
_cod_original_formula_sum
'Ca1.88 Sr0.12 Al2.27 Cr0.22 Fe0.51 Si3 O13 H1'
_cod_database_code               1544868
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x, y+1/2, -z'
'x, -y+1/2, z'
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
A1 1.0 0.76037(7) 0.750000 0.15416(6) Uiso 0.006500 Ca
A2 0.8800 0.60519(7) 0.750000 0.42459(5) Uiso 0.007400 Ca
A2 0.1200 0.60519(7) 0.750000 0.42459(5) Uiso 0.007400 Sr
M1 0.90 0.000000 0.000000 0.000000 Uiso 0.004100 Al
M1 0.10 0.000000 0.000000 0.000000 Uiso 0.004100 Cr
M2 1.0 0.000000 0.000000 0.500000 Uiso 0.003900 Al
M3 0.3700 0.29116(7) 0.250000 0.22201(6) Uiso 0.004700 Al
M3 0.5100 0.29116(7) 0.250000 0.22201(6) Uiso 0.004700 Fe
M3 0.1200 0.29116(7) 0.250000 0.22201(6) Uiso 0.004700 Cr
Si1 1.0 0.3399(1) 0.750000 0.04806(9) Uiso 0.004900 Si
Si2 1.0 0.6827(1) 0.250000 0.27594(8) Uiso 0.005500 Si
Si3 1.0 0.1827(1) 0.750000 0.31692(9) Uiso 0.005100 Si
O1 1.0 0.2353(2) 0.9961(3) 0.0441(2) Uiso 0.006900 O
O2 1.0 0.3015(2) 0.9838(3) 0.3524(2) Uiso 0.007400 O
O3 1.0 0.7926(2) 0.0127(3) 0.3430(2) Uiso 0.007900 O
O4 1.0 0.0523(3) 0.250000 0.1315(2) Uiso 0.006600 O
O5 1.0 0.0394(3) 0.750000 0.1445(2) Uiso 0.006300 O
O6 1.0 0.0640(3) 0.750000 0.4043(2) Uiso 0.006400 O
O7 1.0 0.5165(3) 0.750000 0.1785(2) Uiso 0.008100 O
O8 1.0 0.5202(3) 0.250000 0.3054(3) Uiso 0.011200 O
O9 1.0 0.6346(3) 0.250000 0.1018(2) Uiso 0.012800 O
O10 1.0 0.0789(3) 0.250000 0.4255(2) Uiso 0.006300 O
