Phase Information Template

Phase Information Template: File template_phase.cif

This file is used to insert information relevant to a specific chemical phase into the phase section or block(s) of a CIF. See the gsas2cif documentation for an explanation of how this is used.

# GSAS phase information template file

data_Phase_Template
#==============================================================================
# 6. PREPARATION, CHEMICAL, STRUCTURAL AND CRYSTAL DATA

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was  
# prepared is in kPa.  The temperature of preparation is in K.
               
_pd_prep_cool_rate                ?        
_pd_prep_pressure                 ?        
_pd_prep_temperature              ?        

_pd_char_particle_morphology      ?
_pd_char_colour                   ?       # use ICDD colour descriptions


_chemical_name_systematic
; ?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?        
_chemical_formula_structural      ?        
_chemical_formula_analytical      ?
_chemical_melting_point           ?
_chemical_compound_source         ?       # for minerals and 
                                          # natural products
_symmetry_space_group_name_Hall   ?

_cell_measurement_temperature     ?        

_cell_special_details
; ?
;

_geom_special_details             ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution     ?        

#==============================================================================

# 7. Phase information from GSAS