data_9007664
_publ_section_title
;
 Room- and high-pressure crystal chemistry of CoAs and FeAs
 Locality: synthetic
 Note: anisoB's taken from ICSD
 Sample: P = 2.80 GPa
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              14
_journal_page_last               20
_journal_volume                  40
_journal_year                    1984
_chemical_formula_sum            'As Co'
_chemical_name_mineral           Modderite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.2675
_cell_length_b                   5.815
_cell_length_c                   3.4623
_cell_volume                     106.052
_diffrn_ambient_pressure         2.8e+06
_exptl_crystal_density_diffrn    8.383
_[local]_cod_chemical_formula_sum_orig 'Co As'
_cod_database_code               9007664
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Co 0.00984 0.00857 0.01093 0.00016 0.00000 0.00000
As 0.00984 0.01370 0.00911 0.00016 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Co 0.00230 0.19970 0.25000
As 0.19800 0.58620 0.25000
